NILOTINIB

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Synonyms
Status
Molecule Category Free-form
ATC L01EA03
UNII F41401512X
EPA CompTox DTXSID5042663

Structure

InChI Key HHZIURLSWUIHRB-UHFFFAOYSA-N
Smiles Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
InChI
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H22F3N7O
Molecular Weight 529.53
AlogP 6.36
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 97.62
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 39.0
Assay Description Organism Bioactivity Reference
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay Homo sapiens 29.3 nM
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay Homo sapiens 4.1 nM
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay Homo sapiens 443.0 nM
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay Homo sapiens 446.0 nM
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay Homo sapiens 461.0 nM
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay Homo sapiens 99.0 nM
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay Homo sapiens 41.9 nM
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay Homo sapiens 302.0 nM
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay Homo sapiens 223.0 nM
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay Mus musculus 79.0 nM
Inhibition of PDGFR None 25.0 nM
Inhibition of KIT None 158.0 nM
Inhibition of wild type Abl None 38.0 nM
Inhibition of autophosphorylation of DDR2 expressed in HEK293 cells by ELISA None 5.2 nM
Inhibition of autophosphorylation of DDR1 expressed in HEK293 cells by ELISA None 3.7 nM
Inhibition of PDGFRbeta autophosphorylation in human A31 cells by ELISA Homo sapiens 71.0 nM
Inhibition of human PDGFRalpha autophosphorylation in human A31 cells by ELISA Homo sapiens 71.0 nM
Inhibition of human KIT autophosphorylation in human GIST882 cells by ELISA Homo sapiens 217.0 nM
Inhibition of autophosphorylation of BCR-ABL1 expressed in Ba/F cells None 20.0 nM
Inhibition of BCR-ABL1 autophosphorylation in human K562 cells Homo sapiens 42.0 nM
Inhibition of autophosphorylation of CSF1R expressed in HEK293 cells by ELISA None 677.0 nM
Antiproliferative activity against human K562 cells Homo sapiens 21.0 nM
Antiproliferative activity against BCR-ABL1 transfected mouse BA/F3 cells Mus musculus 25.0 nM
Antiproliferative activity against PDGFRbeta transfected mouse BA/F3 cells Mus musculus 62.0 nM
Antiproliferative activity against human GIST882 cells Homo sapiens 151.0 nM
Antiproliferative activity against mouse M-NFS-60 cells Mus musculus 838.0 nM
Inhibition of Bcr/Abl by FRET-based Z-lyte assay None 39.3 nM
Antiproliferative activity against human K562 cells Homo sapiens 6.5 nM
Antiproliferative activity against human KU812 cells Homo sapiens 3.4 nM
Antiproliferative activity against human imatinib-resistant K562 cells Homo sapiens 260.0 nM
Binding constant for p38-alpha kinase domain None 460.0 nM
Binding constant for MEK5 kinase domain None 190.0 nM
Binding constant for EPHA6 kinase domain None 640.0 nM
Binding constant for ZAK kinase domain None 11.0 nM
Binding constant for PFCDPK1(P.falciparum) kinase domain None 790.0 nM
Binding constant for TRKC kinase domain None 600.0 nM
Binding constant for DDR2 kinase domain None 33.0 nM
Binding constant for KIT kinase domain None 29.0 nM
Binding constant for KIT(A829P) kinase domain None 46.0 nM
Binding constant for KIT(D816H) kinase domain None 540.0 nM
Binding constant for KIT(D816V) kinase domain None 770.0 nM
Binding constant for KIT(L576P) kinase domain None 22.0 nM
Binding constant for KIT(V559D) kinase domain None 46.0 nM
Binding constant for KIT(V559D,T670I) kinase domain None 150.0 nM
Binding constant for KIT(V559D,V654A) kinase domain None 260.0 nM
Binding constant for HPK1 kinase domain None 890.0 nM
Binding constant for BLK kinase domain None 500.0 nM
Binding constant for DDR1 kinase domain None 1.1 nM
Binding constant for FRK kinase domain None 86.0 nM
Binding constant for HCK kinase domain None 390.0 nM
Binding constant for LYN kinase domain None 100.0 nM
Binding constant for PDGFRB kinase domain None 73.0 nM
Binding constant for JNK1 kinase domain None 450.0 nM
Binding constant for p38-beta kinase domain None 36.0 nM
Binding constant for BRAF(V600E) kinase domain None 570.0 nM
Binding constant for EPHA2 kinase domain None 230.0 nM
Binding constant for EPHA4 kinase domain None 330.0 nM
Binding constant for EPHB4 kinase domain None 730.0 nM
Binding constant for EPHB6 kinase domain None 500.0 nM
Binding constant for ABL1(E255K)-phosphorylated kinase domain None 36.0 nM
Binding constant for ABL1(F317I)-non phosphorylated kinase domain None 18.0 nM
Binding constant for ABL1(F317I)-phosphorylated kinase domain None 56.0 nM
Binding constant for ABL1(F317L)-non phosphorylated kinase domain None 12.0 nM
Binding constant for ABL1(F317L)-phosphorylated kinase domain None 14.0 nM
Binding constant for ABL1(H396P)-non phosphorylated kinase domain None 4.9 nM
Binding constant for ABL1(H396P)-phosphorylated kinase domain None 21.0 nM
Binding constant for ABL1(M351T)-phosphorylated kinase domain None 15.0 nM
Binding constant for ABL1(Q252H)-non phosphorylated kinase domain None 10.0 nM
Binding constant for ABL1(Q252H)-phosphorylated kinase domain None 21.0 nM
Binding constant for ABL1(T315I)-non phosphorylated kinase domain None 660.0 nM
Binding constant for ABL1(Y253F)-phosphorylated kinase domain None 13.0 nM
Binding constant for ABL1-non phosphorylated kinase domain None 10.0 nM
Binding constant for ABL1-phosphorylated kinase domain None 13.0 nM
Binding constant for ABL2 kinase domain None 26.0 nM
Binding constant for CSF1R kinase domain None 45.0 nM
Binding constant for EPHA1 kinase domain None 590.0 nM
Binding constant for EPHA3 kinase domain None 110.0 nM
Binding constant for FGR kinase domain None 320.0 nM
Binding constant for LCK kinase domain None 47.0 nM
Binding constant for MRCKB kinase domain None 910.0 nM
Binding constant for TRKB kinase domain None 490.0 nM
Binding constant for PDGFRA kinase domain None 180.0 nM
Binding constant for TNNI3K kinase domain None 360.0 nM
Binding constant for EPHB2 kinase domain None 640.0 nM
Binding constant for EPHA8 kinase domain None 37.0 nM
Binding constant for RET kinase domain None 870.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl G250E mutant after 72 hrs by CCK-8 assay Mus musculus 38.6 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl Y253F mutant after 72 hrs by CCK-8 assay Mus musculus 60.7 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl H396R mutant after 72 hrs by CCK-8 assay Mus musculus 87.2 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl F359V mutant after 72 hrs by CCK-8 assay Mus musculus 159.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl E255V mutant after 72 hrs by CCK-8 assay Mus musculus 473.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl E255K mutant after 72 hrs by CCK-8 assay Mus musculus 292.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl H396P mutant after 72 hrs by CCK-8 assay Mus musculus 6.34 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl M244V mutant after 72 hrs by CCK-8 assay Mus musculus 1.54 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl E355G mutant after 72 hrs by CCK-8 assay Mus musculus 8.38 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl Y253H mutant after 72 hrs by CCK-8 assay Mus musculus 314.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl Q252H mutant after 72 hrs by CCK-8 assay Mus musculus 150.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl F486S mutant after 72 hrs by CCK-8 assay Mus musculus 21.0 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl M351T mutant after 72 hrs by CCK-8 assay Mus musculus 10.3 nM
Antiproliferative activity against mouse BA/F3 cells expressing wild type Bcr-Abl after 72 hrs by CCK-8 assay Mus musculus 65.2 nM
Antiproliferative activity against mouse BA/F3 cells expressing Bcr-Abl T315I mutant after 72 hrs by CCK-8 assay Mus musculus 775.0 nM
Inhibition of human c-Kit V650G mutant using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 10.0 nM
Inhibition of human c-Kit D816H mutant using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 200.0 nM
Binding affinity to human PDGFRalpha Homo sapiens 74.0 nM
Binding affinity to human PDGFRbeata Homo sapiens 16.0 nM
Binding affinity to human c-Kit Homo sapiens 17.0 nM
Binding affinity to human DDR2 Homo sapiens 6.2 nM
Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 60.11 nM
Binding affinity to human ABL1 Homo sapiens 3.6 nM
Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 2.54 nM
Inhibition of human LCK using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 108.2 nM
Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate Homo sapiens 2.54 nM
Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate Homo sapiens 14.7 nM
Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate Homo sapiens 2.54 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL F486S mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 9.5 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL E359V mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 120.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL E355G mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 130.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL M351T mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 3.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL F317L mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 160.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL E255K mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 170.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL Q252H mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 120.0 nM
Cytotoxicity against mouse BA/F3 cells expressing BCR-ABL G250E mutant assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 150.0 nM
Inhibition of human recombinant ABL1 Y253F mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 29.9 nM
Inhibition of human recombinant ABL1 M351T mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 12.8 nM
Inhibition of human recombinant ABL1 H396P mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 15.8 nM
Inhibition of human recombinant ABL1 G250E mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 215.3 nM
Inhibition of human recombinant ABL1 Q252H mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 24.2 nM
Inhibition of human recombinant ABL1 E255K mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 27.8 nM
Inhibition of human recombinant ABL1 T315I mutant expressed in insect cells after 30 mins by FRET assay Homo sapiens 702.4 nM
Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay Homo sapiens 43.5 nM
Cytotoxicity against mouse BA/F3 cells expressing wild type BCR-ABL assessed as growth inhibition after 72 hrs by CCK-8 assay Mus musculus 22.0 nM
Antiproliferative activity against human K562 cells after 72 hrs by CCK8 assay Homo sapiens 15.0 nM
Inhibition of BCR/ABL (unknown origin) using tyrosine 2 peptide as substrate incubated for 1 hr prior to substrate addition measured after 2 hrs by FRET assay Homo sapiens 43.5 nM
Inhibition of DDR2 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by TR-FRET assay Homo sapiens 105.0 nM
Inhibition of DDR1 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by TR-FRET assay Homo sapiens 32.6 nM
SANGER: Inhibition of human NKM-1 cell growth in a cell viability assay. Homo sapiens 901.5 nM
SANGER: Inhibition of human BHT-101 cell growth in a cell viability assay. Homo sapiens 642.63 nM
SANGER: Inhibition of human BV-173 cell growth in a cell viability assay. Homo sapiens 10.89 nM
SANGER: Inhibition of human CGTH-W-1 cell growth in a cell viability assay. Homo sapiens 648.7 nM
SANGER: Inhibition of human EM-2 cell growth in a cell viability assay. Homo sapiens 4.099 nM
SANGER: Inhibition of human EoL-1-cell cell growth in a cell viability assay. Homo sapiens 0.1445 nM
SANGER: Inhibition of human HMV-II cell growth in a cell viability assay. Homo sapiens 748.74 nM
SANGER: Inhibition of human KASUMI-1 cell growth in a cell viability assay. Homo sapiens 24.13 nM
SANGER: Inhibition of human KU812 cell growth in a cell viability assay. Homo sapiens 2.477 nM
SANGER: Inhibition of human LAMA-84 cell growth in a cell viability assay. Homo sapiens 4.9 nM
SANGER: Inhibition of human MEG-01 cell growth in a cell viability assay. Homo sapiens 8.283 nM
SANGER: Inhibition of human NB7 cell growth in a cell viability assay. Homo sapiens 134.39 nM
Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay Homo sapiens 0.33 nM
Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay Homo sapiens 75.0 nM
Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay Homo sapiens 2.0 nM
Inhibition of DDR2 T654M mutant (unknown origin) preincubated for 30 mins before substrate addition by FRET assay Homo sapiens 18.0 nM
Binding affinity to wild type DDR2 (unknown origin) by FLiK assay Homo sapiens 6.0 nM
Inhibition of DDR1b (unknown origin) assessed as reduction in collagen-induced DDR1b activation Homo sapiens 43.0 nM
Inhibition of DDR2 (unknown origin) assessed as reduction in collagen-induced DDR2 activation Homo sapiens 55.0 nM
Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay None 125.89 nM
Antiproliferative activity against human K562 cells expressing wild type Bcr-Abl after 72 hrs by CCK-8 assay Homo sapiens 22.0 nM
Inhibition of wild type Bcr-Abl (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay Homo sapiens 14.0 nM
Cytotoxicity against human K562 cells assessed as cell viability after 72 hrs by MTT assay Homo sapiens 3.9 nM
Binding affinity to P38-alpha (unknown origin) Homo sapiens 460.0 nM
Inhibition of kinobead binding to ABL in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method Homo sapiens 28.0 nM
Inhibition of kinobead binding to DDR1 in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method Homo sapiens 100.0 nM
Inhibition of full length human His6/GST-tagged NQO2 expressed in Escherichia coli Tuner(DE3)pLysS using menadione as substrate and CCHP as co-substrate preincubated with enzyme followed by substrate addition by MTT dye based continuous spectrophotometric assay Homo sapiens 381.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 301.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 291.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 651.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 115.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 347.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 772.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 560.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 20.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 927.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 331.0 nM
Inhibition of Bcr-Abl (unknown origin) Homo sapiens 30.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens -1.43 %
Cytotoxicity against human KU812 cells expressing IM- sensitive wild type Bcr/Abl assessed as reduction in cell viability incubated for 48 hrs by MTT assay Homo sapiens 10.0 nM
Cytotoxicity against human LAMA84-s cells expressing IM-sensitive wild type Bcr/Abl assessed as reduction in cell viability incubated for 48 hrs by MTT assay Homo sapiens 11.0 nM
Cytotoxicity against IM resistant human LAMA84-r cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay Homo sapiens 126.0 nM
Cytotoxicity against human KBM5 cells expressing IM- sensitive wild type Bcr/Abl assessed as reduction in cell viability incubated for 48 hrs by MTT assay Homo sapiens 12.0 nM
Binding affinity to ABL1 (unknown origin) Homo sapiens 4.9 nM
Inhibition of wild type BCR/Abl (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 12.7 nM
Inhibition of BCR/Abl Q252H mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 37.1 nM
Inhibition of BCR/Abl Y253F mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 347.0 nM
Inhibition of BCR/Abl E255K mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 216.1 nM
Inhibition of BCR/Abl V299L mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 38.5 nM
Inhibition of BCR/Abl F317L mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 39.9 nM
Inhibition of BCR/Abl F317I mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 30.5 nM
Inhibition of BCR/Abl M351T mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 23.5 nM
Inhibition of BCR/Abl H396P mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 110.7 nM
Inhibition of BCR/Abl P190 mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 23.2 nM
Inhibition of BCR/Abl P230 mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay Homo sapiens 19.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 35.62 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -0.94 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 3.695 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.26 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.2 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.19 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.26 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.19 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.2 %
Inhibition of human ABL1 assessed as residual activity using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay Homo sapiens 5.56 nM
Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes in presence of NADPH by fluorescence assay Homo sapiens 580.0 nM
Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay Homo sapiens 450.0 nM
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-labelled P22 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay Homo sapiens 158.0 nM
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay Homo sapiens 1.2 nM
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system using FAM-labelled P22 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay Homo sapiens 25.0 nM
Antiproliferative activity against human HCT-116 cells overexpressing DDR1 assessed as inhibition of cell proliferation at 10 uM measured after 72 hrs by MTT assay relative to control Homo sapiens 88.14 %
Antiproliferative activity against human MDA-MB-231 cells overexpressing DDR1 assessed as inhibition of cell proliferation at 10 uM measured after 72 hrs by MTT assay relative to control Homo sapiens 93.6 %
Inhibition of human c-KIT at 10 nM using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 2.0 %
Inhibition of human c-KIT at 100 nM using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 33.0 %
Inhibition of human FLT3 at 10 nM using EAIYAAPFAKKK as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 0.0 %
Inhibition of human FLT3 at 100 nM using EAIYAAPFAKKK as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 4.0 %
Inhibition of human CSF1R at 10 nM using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 14.0 %
Inhibition of human CSF1R at 100 nM using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by radiometric assay relative to control Homo sapiens 47.0 %
Inhibition of CSF1R in mouse MNFS-60 cells assessed as reduction in CSF-induced cell viability after 48 hrs by Ez-cytox reagent based assay Mus musculus 534.0 nM
Cytotoxicity against mouse BAF3 cells expressing native BCR-ABL assessed as inhibition of cell growth measured after 72 hrs by MTT assay Mus musculus 11.8 nM
Cytotoxicity against mouse BAF3 cells expressing BCR-ABL T315I mutant assessed as inhibition of cell growth measured after 48 hrs by trypan blue assay Mus musculus 100.0 nM
Cytotoxicity against human K562 cells assessed as cell growth inhibition measured after 72 hrs by MTT assay Homo sapiens 1.8 nM
Cytotoxicity against human KU812 cells assessed as inhibition of cell growth measured after 72 hrs by MTT assay Homo sapiens 1.8 nM

Related Entries

Cross References

Resources Reference
ChEBI 52172
ChEMBL CHEMBL255863
DrugBank DB04868
DrugCentral 1932
FDA SRS F41401512X
Human Metabolome Database HMDB0015595
Guide to Pharmacology 5697
PDB NIL
PharmGKB PA165958345
PubChem 644241
SureChEMBL SCHEMBL7901
ZINC ZINC000006716957
CONTENTS