Structure

InChI Key QWAXKHKRTORLEM-UGJKXSETSA-N
Smiles CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
InChI
InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H50N6O5
Molecular Weight 670.86
AlogP 3.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 166.75
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 49.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 protease inhibitor INHIBITOR DailyMed
Assay Description Organism Bioactivity Reference
Compound was tested for effective concentration against C8166 cell line Homo sapiens 2.0 nM
Inhibitory effects on HIV-1 induced syncytium formation in C8166 cells Human immunodeficiency virus 1 0.6 nM
Antiviral activity in HIV-infected CEM cells using whole cell assay Homo sapiens 2.0 nM
Inhibitory concentration required for antiviral activity against HXB-2 infected CEM-SS cells Homo sapiens 6.6 nM
Tested for the inhibitory activity against HIV-1 in H-9 cell lines assessed by syncytium formation and reverse transcriptase assay Homo sapiens 20.0 nM
In vitro inhibition HIV-1 IIIB protease. None 0.2 nM
In vitro antiviral activity against human immuno deficiency virus was determined Human immunodeficiency virus 1 2.0 nM
Compound was tested for its inhibitory potency against human immunodeficiency virus -1 (HIV-1 protease); In house preparation None 0.12 nM
Compound was tested for inhibitory activity against HIV-1 protease None 270.0 nM
In vitro inhibition of HIV-1 protease. None 1.0 nM
Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay) None 45.0 nM
Inhibitory concentration required against HIV-1 protease None 1.0 nM
Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assay None 1.7 nM
Inhibitory activity against wild type strain,HIV104pre. Human immunodeficiency virus 19.0 nM
Anti-HIV activity based on inhibition of HIV-1 induced cytopathogenicity in MT-2 cells. Homo sapiens 17.0 nM
Concentration required for anti-viral activity (Anti-HIV-IIIB activity) against human T lymphoid (MT-2) cells that are infected with HIV-IIIB virus Homo sapiens 3.0 nM
Inhibition of cytopathic effect of HIV-1 strain RF in MT-4 cell culture None 4.0 nM
Compound was tested for effective concentration against MT-4 cell line Homo sapiens 2.0 nM
Antiviral activity against HIV-1 resistant to 2-(2-Benzoyl-4-chloro-phenyl)-N-[4-(3-dimethylamino-propoxy)-2-methyl-phenyl]-acetamide in MT-4 cells Homo sapiens 0.0038 ug.mL-1
Antiviral activity against HIV-1 (strain RF) infected MT-4 cells Human immunodeficiency virus 1 0.028 ug.mL-1
Compound was evaluated for its antiviral inhibition in MT-4 cell culture Homo sapiens 20.0 nM
Cytotoxicity against uninfected MT-4 cells Homo sapiens 1.0 ug.mL-1 Cytotoxicity against uninfected MT-4 cells Homo sapiens 1.0 ug.mL-1
Effective concentration against HIV infected MT-2 cell line Homo sapiens 5.0 nM
Inhibition of P-gp was determined using rhodamine-assay in human CaCo-2 cells None 43.0 %
Anti-HIV activity against multidrug resistant HIV JSL strain by inhibition of HIV p24 antigen expression in peripheral blood mononuclear cells(PBMC) Homo sapiens 550.0 nM
Anti-HIV activity against multidrug resistant HIV MM strain by inhibition of HIV p24 antigen expression in peripheral blood mononuclear cells(PBMC) Homo sapiens 320.0 nM
Anti-HIV activity against multidrug resistant HIV TM strain by inhibition of HIV p24 antigen expression in peripheral blood mononuclear cells(PBMC) Homo sapiens 230.0 nM
Compound was evaluated for binding affinity against HIV protease None 1.4 nM
Inhibition of HIV protease Human immunodeficiency virus 1 0.04 nM
Binding affinity to inhibit the purified wild-type HIV-1 Protease Human immunodeficiency virus 1 0.25 nM
Inhibition constant against HIV-1 Protease Human immunodeficiency virus 1 0.23 nM
Inhibitory activity against HIV-1 protease None 0.19 nM
Inhibitory concentration against HIV-1 protease Human immunodeficiency virus 1 0.23 nM
Inhibitory activity against HIV-1 protease. Human immunodeficiency virus 1 0.2291 nM
Inhibition of HIV-1 protease was determined in vitro None 0.2291 nM
Inhibitory potency against HIV-1 protease Human immunodeficiency virus 1 0.3999 nM
Binding affinity to HIV-1 protease None 0.1202 nM
Compound was evaluated for inhibitory activity against HIV-2 protease Human immunodeficiency virus 2 0.5 nM
Tested for inhibitory concentration against HIV-2 protease Human immunodeficiency virus 2 0.5 nM
Inhibitory activity against HIV-1 Protease Human immunodeficiency virus 1 11.2 nM
In vitro inhibition of HIV protease, using a peptide hydrolysis assay None 0.34 nM
In vitro inhibitory activity against HIV proteinase Human immunodeficiency virus 1 11.0 nM
In vivo antiviral activity (IC50) against HIV-1 protease. Human immunodeficiency virus 1 6.3 nM
Concentration required for inhibitory activity against HIV-1 Protease None 30.0 nM
Inhibitory activity against HIV-1 Protease was determined None 0.4 nM
Inhibitory activity against HIV-1 protease Human immunodeficiency virus 1 1.8 nM
Tested against S2-binding site of HIV-1 protease Human immunodeficiency virus 1 0.23 nM
Tested for inhibitory concentration against HIV-1 protease None 0.23 nM
Tested for inhibitory concentration against HIV-1 protease in experiment 2 None 0.4 nM
Equilibrium constant for the interaction between inhibitor and HIV-1 Protease Human immunodeficiency virus 1 0.315 nM
Affinity against HIV protease Human immunodeficiency virus 1 0.25 nM
Binding activity against HIV-1 Protease Human immunodeficiency virus 1 0.4 nM
Binding activity against HIV-1 Protease Human immunodeficiency virus 1 0.4 nM
Binding activity against HIV-1 Protease human immunodeficiency virus type i 0.12 nM
The compound was tested for binding activity against HIV-1 protease human immunodeficiency virus type i 0.12 nM
Inhibitory activity against P2 site in HIV protease. Human immunodeficiency virus 1 0.452 nM
Inhibitory activity against HIV-1 protease Human immunodeficiency virus 1 0.25 nM
Tested for the inhibitory activity against HIV-1 in Sup T1 cell lines assessed by syncytium formation and reverse transcriptase assay Homo sapiens 20.0 nM
Dissociation constant obtained by inhibition of Wild-type protease None 0.062 nM
Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) None 15.0 nM
Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) None 3.7 nM
Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) None 117.0 nM
Inhibitory activity in cell culture against both HIV-1 and HIV-2 viruses None 30.0 nM
Binding affinity for human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.31 nM
Inhibition constant for human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 0.23 nM
Compound tested for the inhibition of HIV-induced cytopathogenicity in MT-2 cells Homo sapiens 12.0 nM
Antiviral activity against HIV1 HXB2 in MT4 cells None 60.0 nM
Antiviral activity against HIV1 EP13 in MT4 cells None 80.0 nM
Antiviral activity against HIV D545701 in MT4 cells None 603.0 nM
Antiviral activity against HIV1 IIIB strain in MT2 cells None 5.0 nM
Antiviral activity against HIV1 LAI isolate in human MT2 cells Human immunodeficiency virus 1 24.0 nM
Antiviral activity against HIV1 LAI isolate in human PHA-PBMC cells Human immunodeficiency virus 1 14.0 nM
Antiviral activity against HIV1 BA-L isolate in human PHA-PBMC cells Human immunodeficiency virus 1 18.0 nM
Antiviral activity against HIV2 EHO isolate in human MT2 cells Human immunodeficiency virus 2 1.9 nM
Antiviral activity against multi drug-resistant HIV1 ET variant in human PHA-PBMC cells Human immunodeficiency virus 1 17.0 nM
Antiviral activity against multi drug-resistant HIV1 B variant in human PHA-PBMC cells Human immunodeficiency virus 1 230.0 nM
Antiviral activity against multi drug-resistant HIV1 C variant in human PHA-PBMC cells Human immunodeficiency virus 1 100.0 nM
Antiviral activity against multi drug-resistant HIV1 G variant in human PHA-PBMC cells Human immunodeficiency virus 1 59.0 nM
Antiviral activity against multi drug-resistant HIV1 TM variant in human PHA-PBMC cells Human immunodeficiency virus 1 250.0 nM
Antiviral activity against multi drug-resistant HIV1 K variant in human PHA-PBMC cells Human immunodeficiency virus 1 20.0 nM
Antimalarial activity against Plasmodium falciparum Dd2 Plasmodium falciparum 960.0 nM
Inhibition of HIV1 Protease M1 variant by FRET based assay Human immunodeficiency virus 1 89.53 nM
Inhibition of HIV1 Protease M2 variant by FRET based assay Human immunodeficiency virus 1 1.03 nM
Inhibition of HIV1 Protease M3 variant by FRET based assay Human immunodeficiency virus 1 78.44 nM
Antiviral activity against HIV1 infected MT4 cells by MTT method Human immunodeficiency virus 1 10.0 nM
Inhibition of wild type HIV1 recombinant aspartic protease Human immunodeficiency virus 1 0.4 nM
Inhibition of HIV1 protease Human immunodeficiency virus 1 0.138 nM
Antiviral activity against HIV1 3B Human immunodeficiency virus 1 7.0 nM
Antiviral activity against HIV1 3B in presence of 50% human serum Human immunodeficiency virus 1 50.0 nM
Antiviral activity against wild type HIV1 Human immunodeficiency virus 1 1.9 nM
Antiviral activity against HIV1 mutant strain 1 Human immunodeficiency virus 1 500.0 nM
Antiviral activity against HIV1 mutant strain 2 Human immunodeficiency virus 1 97.0 nM
Antiviral activity against HIV1 mutant strain 3 Human immunodeficiency virus 1 500.0 nM
Antiviral activity against HIV1 mutant strain 4 Human immunodeficiency virus 1 500.0 nM
Antiviral activity against HIV1 mutant strain 5 Human immunodeficiency virus 1 500.0 nM
Antiviral activity against HIV1 mutant strain 6 Human immunodeficiency virus 1 158.0 nM
Antiviral activity against HIV1 mutant strain 7 Human immunodeficiency virus 1 141.0 nM
Antiviral activity against HIV1 LAI in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 8.0 nM
Antiviral activity against HIV2 EHO in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 2 3.0 nM
Antiviral activity against HIV2 ROD in MT2 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 2 4.3 nM
Antiviral activity against HIV1 NL4-3 in MT4 cells by MTT assay Human immunodeficiency virus 1 7.0 nM
Antiviral activity against ritonavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against idinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 59.0 nM
Antiviral activity against nelfinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 24.0 nM
Antiviral activity against atazanavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 31.0 nM
Antiviral activity against lopinavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 32.0 nM
Antiviral activity against amprenavir-resistant HIV1 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 37.0 nM
Antiviral activity against HIV1 GRL98065p20 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 12.0 nM
Antiviral activity against HIV1 GRL98065p30 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 22.0 nM
Antiviral activity against HIV1 GRL98065p40 in MT4 cells assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 32.0 nM
Antiviral activity against wild type HIV1 ERS104prc X4 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 8.0 nM
Antiviral activity against HIV1 MDR/TM X4 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 180.0 nM
Antiviral activity against HIV1 MDR/MM R5 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 140.0 nM
Antiviral activity against HIV1 MDR/JSL R5 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 290.0 nM
Antiviral activity against HIV1 MDR/B X4 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 270.0 nM
Antiviral activity against HIV1 MDR/C X4 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 35.0 nM
Antiviral activity against HIV1 MDR/G X4 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 33.0 nM
Antiviral activity against HIV1 92UG029 X4 subtype A in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 4.8 nM
Antiviral activity against HIV1 92UG037 subtype A R5 in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 3.2 nM
Antiviral activity against HIV1 BaL R5 subtype B in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 8.3 nM
Antiviral activity against HIV1 97ZA003 R5 subtype C in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 6.7 nM
Antiviral activity against HIV1 92TH019 R5 subtype E in phytohemagglutininin-activated PBMCs assessed as inhibition of p24 Gag protein expression by MTT assay Human immunodeficiency virus 1 3.0 nM
Antiviral activity against R5-HIV1Ba-L assessed as inhibition of p24 Gag protein production in human PHA-PBMC by ELISA Human immunodeficiency virus 1 8.0 nM
Antiviral activity against R5-HIV1MDR/MM assessed as inhibition of p24 Gag protein production in human PHA-PBMC by ELISA Human immunodeficiency virus 1 220.0 nM
Antiviral activity against X4-HIV1 NL4-3 assessed as inhibition of p24 Gag protein production in human MT4 cells by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against R5-HIV1MDR/C assessed as inhibition of p24 Gag protein production in human PHA-PBMC by ELISA Human immunodeficiency virus 1 37.0 nM
Antiviral activity against R5-HIV1MDR/G assessed as inhibition of p24 Gag protein production in human PHA-PBMC by ELISA Human immunodeficiency virus 1 26.0 nM
Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 0.04 nM
Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 0.51 nM
Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 13.0 nM
Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 12.0 nM
Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 0.22 nM
Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 2.9 nM
Inhibition of HIV1 recombinant protease L10I/L24I/L33F/M46L/154V/L63P/A71V/V82A/I84V mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 180.0 nM
Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay Human immunodeficiency virus 1 71.0 nM
Ratio of Ki for HIV1 recombinant protease D30N/N88D mutant to Ki for wild-type HIV1 BH10 protease Human immunodeficiency virus 1 13.0 nM
Ratio of Ki for HIV1 recombinant protease M46I/A71V/V82T/I84V mutant to Ki for wild-type HIV1 BH10 protease Human immunodeficiency virus 1 25.0 nM
Ratio of Ki for HIV1 recombinant protease A71V/V82T/I84V mutant to Ki for wild-type HIV1 BH10 protease Human immunodeficiency virus 1 290.0 nM
Ratio of Ki for HIV1 recombinant protease V32I/I47A mutant to Ki for wild-type HIV1 BH10 protease Human immunodeficiency virus 1 5.5 nM
Ratio of Ki for HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant to Ki for wild-type HIV1 BH10 protease Human immunodeficiency virus 1 73.0 nM
Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falciparum W2 by [3H]hypoxanthine uptake Plasmodium falciparum 7.0 ug.mL-1
Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect after 5 days by MTT assay Human immunodeficiency virus 1 12.0 nM
Antiviral activity against HIV2 MS infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect after 5 days by MTT assay Human immunodeficiency virus 2 5.0 nM
Antiviral activity against HIV2 CBL-23 infected in human PBMC assessed as inhibition of virus production after 5 days by Lenti-RT activity assay Human immunodeficiency virus 2 8.0 nM
Antiviral activity against HIV2 CDC310319 isolate infected in human PBMC assessed as inhibition of virus production after 5 days by Lenti-RT activity assay Human immunodeficiency virus 2 68.0 nM
Antiviral activity against wild type HIV2 ROD infected in human CEM cells assessed as inhibition of virus production after 7 days by Lenti-RT activity assay Human immunodeficiency virus 2 3.6 nM
Antiviral activity against HIV2 ROD with protease G17N mutation infected in human CEM cells assessed as inhibition of virus production after 7 days by Lenti-RT activity assay Human immunodeficiency virus 2 2.2 nM
Antiviral activity against HIV2 ROD with protease V47A mutation infected in human CEM cells assessed as inhibition of virus production after 7 days by Lenti-RT activity assay Human immunodeficiency virus 2 0.2 nM
Antiviral activity against HIV2 ROD with protease G17N/V47A mutation infected in human CEM cells assessed as inhibition of virus production after 7 days by Lenti-RT activity assay Human immunodeficiency virus 2 0.2 nM
Antiviral activity against HIV1 LAI infected in human CEM-SS cells assessed as reverse transcriptase activity after 5 days by MTT assay Human immunodeficiency virus 1 9.0 nM
Antiviral activity against HTLV1 3B infected in human MT4 cells assessed as reverse transcriptase activity after 5 days by MTT assay Human T-lymphotropic virus 1 18.0 nM
Inhibition of HIV1 protease Human immunodeficiency virus 1 0.08 nM
Antiviral activity against wild type HIV1 NL4-3 infected in MT4 cells after 6 days by MTT assay Human immunodeficiency virus 1 12.0 nM
Antiviral activity against wild type HIV1 NL4-3 in HEK293 cells after 48 hrs by replication-deffective luciferase reporter gene-based phenotypic assay Human immunodeficiency virus 1 1.8 nM
Inhibition of wild type HIV1 protease by competitive binding Human immunodeficiency virus 1 0.42 nM
Inhibition of HIV1 protease V32I mutant by competitive binding Human immunodeficiency virus 1 9.0 nM
Antiviral activity against HIV1 LAI in human MT2 cells assessed as inhibition of virus-induced cytopathic effect Human immunodeficiency virus 1 16.0 nM
Inhibition of HIV1 protease Human immunodeficiency virus 1 1.4 nM
Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay Human immunodeficiency virus 1 0.2 nM
Antiviral activity against HIV1 infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 6 days by XTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against wild type HIV1 isolate ERS104pre infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 8.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate B infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 270.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate C infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 32.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate G infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 30.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate TM infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 260.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate MM infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 190.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate JSL infected in PHA-stimulated human PBMC assessed as inhibition of p24 gap protein production Human immunodeficiency virus 1 300.0 nM
Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate Human immunodeficiency virus 1 0.4 nM
Antimicrobial activity against Plasmodium yoelii 265 liver infected in mammalian hepatocytes after 48 hrs Plasmodium yoelii yoelii 35.2 nM
Antiviral activity against HIV 2 subtype A clinical isolate expressing 14H-17D-43T-68N/D protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 6.0 nM
Antiviral activity against HIV 2 subtype A clinical isolate expressing 14H-60K/N-65E protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 5.0 nM
Antiviral activity against HIV 2 subtype A clinical isolate expressing 10I-17D-40D-43I-46V-66V/A-70R/K protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 2.0 nM
Antiviral activity against HIV 2 subtype A clinical isolate expressing 10I-17D-40D-43I-45K/R-46V-54M-64I/V-69K/R-71V/I-90M protease gene sequence from HIV2 infected patient plasma and PBMC obtained at T1 during compound treatment measured after 13 months Human immunodeficiency virus 2 90.0 nM
Antiviral activity against HIV 2 subtype A clinical isolate expressing 14H-40D-70K-72R/K-91T/S protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 5.0 nM
Antiviral activity against HIV 2 subtype B clinical isolate expressing 12T-14Y-19P-40N-41D-61N-62I-96S-99L protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 7.0 nM
Antiviral activity against HIV 2 subtype B clinical isolate expressing 12Q-14R-17G/D-19P-61N-62I-92A protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 60.0 nM
Antiviral activity against HIV 2 subtype B clinical isolate expressing 41D protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 20.0 nM
Antiviral activity against Human immunodeficiency virus type 2 (ISOLATE ROD) after 13 months Human immunodeficiency virus type 2 (ISOLATE ROD) 10.0 nM
Antiviral activity against Human immunodeficiency virus type 1 (BRU ISOLATE) after 13 months Human immunodeficiency virus type 1 (BRU ISOLATE) 10.0 nM
Antiviral activity against HIV 2 subtype H expressing 10I-40P-41Y-60H-63N-70T-73G-89L-92E protease gene sequence from HIV2 infected patient plasma and PBMC obtained before compound treatment measured after 13 months Human immunodeficiency virus 2 30.0 nM
Antiviral activity against HIV1 LAI infected in human MT2 cells after 7 days by MTT assay Human immunodeficiency virus 14.0 nM
Antiviral activity against HIV1 ERS104pre infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 9.0 nM
Antiviral activity against HIV1 MOKW infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 4.0 nM
Antiviral activity against HIV1 TM harboring L10I/K14R/R41K/M46L/I54V/L63P/A71V/V82A/L90M/I93L in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 270.0 nM
Antiviral activity against HIV1 MM harboring L10I/K43T/M46L/I54V/L63P/A71V/V82A/L90M/Q92K in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 270.0 nM
Antiviral activity against HIV1 JSL harboring L10I/L24I/L33F/E35D/M36I/N37S/M46L/I54V/R57K/I62V/L63P/A71V/G73S/82A in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 320.0 nM
Antiviral activity against HIV1 A harboring L10I/I15V/E35D/N37E/K45R/I54V/L63P/A71V/V82T/L90M/I93L/C95F in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 100.0 nM
Antiviral activity against HIV1 B harboring L10I/I15V/E35D/N37E/K45R/I54V/L63P/A71V/V82T/L90M/I93L/C95F in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 300.0 nM
Antiviral activity against HIV1 C harboring L10I/I15V/K20R/L24I/M36I/M46L/I54V/I62V/L63P/K70Q/V82A/L89M in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 33.0 nM
Antiviral activity against HIV1 G harboring L10I/V11I/T12E/I15V/L19I/R41K/M46L/L63P/A71T/V82A/L90M in protease encoding region infected in human PHA-PBC assessed as inhibition of p24 Gag protein production by ELISA Human immunodeficiency virus 1 27.0 nM
Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as inhibition of p24 gag protein production by ELISA Human immunodeficiency virus 1 8.0 nM
Antiviral activity against HIV1 NL4-3 harboring L10F/V32I/M46I/I54M//A71V/I84V amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 5 uM of amprenavir by ELISA Human immunodeficiency virus 1 16.0 nM
Antiviral activity against HIV1 NL4-3 harboring L10F/L24I/M46I/L63P/A71V/G73S/V82T amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 5 uM of indinavir by ELISA Human immunodeficiency virus 1 22.0 nM
Antiviral activity against HIV1 NL4-3 harboring L10F/D30N/K45I/A71V/T74S amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 5 uM of nelfinavir by ELISA Human immunodeficiency virus 1 28.0 nM
Antiviral activity against HIV1 NL4-3 harboring M46I/V82F/I84V amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 5 uM of ritonavir by ELISA Human immunodeficiency virus 1 10.0 nM
Antiviral activity against HIV1 NL4-3 harboring L10F/M46I/I54V/V82A amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 1 uM of Lopinavir by ELISA Human immunodeficiency virus 1 33.0 nM
Antiviral activity against HIV1 NL4-3 harboring L23I/K43I/M46I/I50L/G51A/A71V amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 1 uM of atazanavir by ELISA Human immunodeficiency virus 1 34.0 nM
Antiviral activity against HIV1 NL4-3 harboring L10F/L33F/M46I/I47V/Q58E/V82I/I84V/I85V amino acid substitution in protease encoding region infected in human MT4 cells assessed as inhibition of p24 Gag protein production selected at 5 uM of GRL-02031 by ELISA Human immunodeficiency virus 1 8.0 nM
Antiviral activity against HIV1 NL4-3 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA Human immunodeficiency virus 1 9.0 nM
Antiviral activity against HIV1 X4 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA Human immunodeficiency virus 1 29.0 nM
Antiviral activity against HIV1 89.6 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA Human immunodeficiency virus 1 9.9 nM
Antiviral activity against HIV1 JRCSF infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA Human immunodeficiency virus type 1 (JRCSF ISOLATE) 2.6 nM
Antiviral activity against HIV1 R5 infected in human PBMC assessed as inhibition of viral p24 antigen production after 7 to 10 days by ELISA Human immunodeficiency virus 1 8.0 nM
Antiviral activity against wild type HIV1 NL4-3 infected in human MT4 cells by MTT assay Human immunodeficiency virus 1 5.0 nM
Antiviral activity against HIV1 expressing protease L10F/D30N/K45I/A71V/T74S mutant infected in human MT4 cells selected at 5 uM of nelfinavir by MTT assay Human immunodeficiency virus 1 3.0 nM
Antiviral activity against HIV1 expressing protease L10F/M46I/I50V/A71V/I84V/L90M mutant infected in human MT4 cells selected at 5 uM of amprenavir by MTT assay Human immunodeficiency virus 1 26.0 nM
Antiviral activity against HIV1 expressing protease L10F/M46I/I54V/V82A mutant infected in human MT4 cells selected at 5 uM of Lopinavir by MTT assay Human immunodeficiency virus 1 28.0 nM
Antiviral activity against HIV1 expressing protease L23I/E34Q/K43I/M46I/I50L/G51A/L63P/A71V/V82A/T91A mutant infected in human MT4 cells selected at 5 uM of atazanavir by MTT assay Human immunodeficiency virus 1 31.0 nM
Antiviral activity against wild type HIV1 ERS104 containing protease L36P mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 8.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate B containing protease L10I, K14R, L33I, M36I,M46I, F53I, K55R, I62V, L63P, A71V, G73S, V82A, L90M, and I93L mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 270.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate C containing protease L10I, I15V, K20R, L24I, M36I, M46L, I54V, I62V, L63P, K70Q, V82A, and L89M mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 32.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate G containing L10I, V11I, T12E, I15V, L19I,R41K, M46L, L63P, A71T, V82A, and L90M mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 30.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate TM containing L10I, K14R, R41K, M46L, I54V, L63P, A71V, V82A, L90M, and I93L mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 260.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate MM containing L10I, K43T, M46L, I54V, L63P, A71V, V82A, L90M, and Q92K mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 190.0 nM
Antiviral activity against multidrug-resistant HIV1 isolate JSL containing L10I, L24I, I33F, E35D, M36I, N37S, M46L, I54V, R57K, I62V, L63P, A71V, G73S, and V82A mutant infected in human PHA-PBMC cells by MTT assay Human immunodeficiency virus 1 300.0 nM
Antiviral activity against HIV1 LAI infected in human MT2 cells assessed as inhibition of virus-induced cytopathic effect by MTT assay Human immunodeficiency virus 1 15.0 nM
Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation Homo sapiens 170.0 nM
Antiviral activity against Human immunodeficiency virus 1 LAI infected in human MT2 cells assessed as inhibition of p24 Gag protein production Human immunodeficiency virus 1 15.0 nM
DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) Rattus norvegicus 755.0 nM DRUGMATRIX: Sodium Channel, Site 2 radioligand binding (ligand: [3H] Batrachotoxin) Rattus norvegicus 677.0 nM
Antimalarial activity against chloroquine resistant, mefloquine sensitive Plasmodium falciparum W2 infected in human erythrocytes by [3H]-hypoxanthine incorporation assay Plasmodium falciparum 7.0 ug.mL-1
Antiviral activity against multidrug-resistant HIV1 106-PR infected in HEK293T cells assessed as inhibition of viral replication after 4 days by beta-galactosidase reporter gene assay Human immunodeficiency virus 1 12.0 nM
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4 Human immunodeficiency virus 1 0.577 nM
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1 Human immunodeficiency virus 1 0.637 nM
Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1 Human immunodeficiency virus 1 4.13 nM
Binding affinity to wild type HIV1 protease Human immunodeficiency virus 1 0.65 nM
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting Homo sapiens 63.8 %
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 6.6 %
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 11.5 %
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome Homo sapiens 650.0 nM
Antiviral activity against HIV1 LAI infected in human MT2 cells by MTT assay Human immunodeficiency virus 1 15.0 nM
Inhibition of HIV1 protease using fluorogenic hexapeptide substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg by fluorimeter Human immunodeficiency virus 1 0.221 nM
Antiviral activity against wild type HIV1 3B infected in human MT2 cells assessed as virus-induced cytopathic effect after 5 days by XTT assay Human immunodeficiency virus 1 13.6 nM
Antiviral activity against wild type HIV1 3B infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 20.0 nM
Antiviral activity against efavirenz-resistant HIV1 harboring RT 100I, 103R, 179D, 225H mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against N119-sensitive HIV1 harboring Y181C mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 20.0 nM
Antiviral activity against A17-sensitive HIV1 harboring 103N, 181C mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against zidovudine-resistant HIV1 harboring RT 67N, 70R, 215F, 219Q mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against MDR-resistant HIV1 harboring 41L, 74V, 106A, 215Y mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 20.0 nM
Antiviral activity against saquinavir-resistant HIV1 infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 90.0 nM
Antiviral activity against 6-[(3,5-Dimethylphenyl)fluoromethyl]-5-ethyl-1-{[[4-(3-hydroxyprop-1-ynyl)benzyl]oxy]methyl}pyrimidine-2,4(1H,3H)-dione-resistant HIV1 harboring RT 106I, 181C mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 20.0 nM
Antiviral activity against MC1220-resistant HIV1 harboring RT 100I, 179D, 181C mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against TMC120-resistant HIV1 harboring RT 100I, 138G mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 20.0 nM
Antiviral activity against TMC125-resistant HIV1 harboring RT 109M, 138K, 190E mutant infected in human MT4 cells assessed as inhibition of virus-induced cytopathogenicity after 4 days by MTT assay Human immunodeficiency virus 1 10.0 nM
Antiviral activity against HIV1 Lai infected in human MT2 cells HIV-1 M:B_Lai 21.0 nM
Antiviral activity against HIV-1 LAI infected in human MT2 cells Human immunodeficiency virus 1 21.0 nM
Antiviral activity against HIV1 NL4-3 infected in human MT4 cells assessed as reduction in p24 Gag protein production after 7 days by automated chemiluminescent enzyme immunoassay Human immunodeficiency virus 1 21.0 nM
Binding affinity to HIV-1 Aspartic Protease Human immunodeficiency virus 1 67.4 nM
Antiviral activity against HIV1 NL4-3 infected in human MT4 cells after 7 days by MTT assay Human immunodeficiency virus 1 15.0 nM
Antiviral activity against HIV1 LAI infected in human MT2 cells HIV-1 M:B_Lai 21.0 nM
Inhibition of HIV1 protease using H-Val-Ser-Gln-Am-(L-b-naphthyl-alanine)-Pro-Ile-Val-OH as substrate by HPLC method Human immunodeficiency virus 1 0.23 nM
Inhibition of HIV2 protease Human immunodeficiency virus 2 0.5 nM

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Cross References

Resources Reference
ChEBI 63621
ChEMBL CHEMBL114
DrugBank DB01232
DrugCentral 2422
FDA SRS L3JE09KZ2F
Guide to Pharmacology 4813
KEGG D00429
PDB ROC
PubChem 441243
SureChEMBL SCHEMBL6881
ZINC ZINC000003914596