IXAZOMIB CITRATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 46CWK97Z3K
Parent Compound: IXAZOMIB

Structure

InChI Key MBOMYENWWXQSNW-AWEZNQCLSA-N
Smiles CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1
InChI
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23BCl2N2O9
Molecular Weight 517.13
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Bioactivity

Mechanism of Action Action Reference
26S proteosome inhibitor INHIBITOR DailyMed
Protein: 26S proteasome
Description: Proteasome subunit beta type-11
Organism : Homo sapiens
A5LHX3 ENSG00000222028
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 11
Organism : Homo sapiens
O00231 ENSG00000108671
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 12
Organism : Homo sapiens
O00232 ENSG00000197170
Protein: 26S proteasome
Description: Proteasome subunit alpha type-7
Organism : Homo sapiens
O14818 ENSG00000101182
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 3
Organism : Homo sapiens
O43242 ENSG00000108344
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 6A
Organism : Homo sapiens
P17980 ENSG00000165916
Protein: 26S proteasome
Description: Proteasome subunit beta type-1
Organism : Homo sapiens
P20618 ENSG00000008018
Protein: 26S proteasome
Description: Proteasome subunit alpha type-1
Organism : Homo sapiens
P25786 ENSG00000129084
Protein: 26S proteasome
Description: Proteasome subunit alpha type-2
Organism : Homo sapiens
P25787 ENSG00000106588
Protein: 26S proteasome
Description: Proteasome subunit alpha type-3
Organism : Homo sapiens
P25788 ENSG00000100567
Protein: 26S proteasome
Description: Proteasome subunit alpha type-4
Organism : Homo sapiens
P25789 ENSG00000041357
Protein: 26S proteasome
Description: Proteasome subunit beta type-8
Organism : Homo sapiens
P28062 ENSG00000204264
Protein: 26S proteasome
Description: Proteasome subunit beta type-9
Organism : Homo sapiens
P28065 ENSG00000240065
Protein: 26S proteasome
Description: Proteasome subunit alpha type-5
Organism : Homo sapiens
P28066 ENSG00000143106
Protein: 26S proteasome
Description: Proteasome subunit beta type-4
Organism : Homo sapiens
P28070 ENSG00000159377
Protein: 26S proteasome
Description: Proteasome subunit beta type-6
Organism : Homo sapiens
P28072 ENSG00000142507
Protein: 26S proteasome
Description: Proteasome subunit beta type-5
Organism : Homo sapiens
P28074 ENSG00000100804
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 7
Organism : Homo sapiens
P35998 ENSG00000161057
Protein: 26S proteasome
Description: Proteasome subunit beta type-10
Organism : Homo sapiens
P40306 ENSG00000205220
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 6B
Organism : Homo sapiens
P43686 ENSG00000013275
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 8
Organism : Homo sapiens
P48556 ENSG00000099341
Protein: 26S proteasome
Description: Proteasome subunit beta type-3
Organism : Homo sapiens
P49720 ENSG00000277791
Protein: 26S proteasome
Description: Proteasome subunit beta type-2
Organism : Homo sapiens
P49721 ENSG00000126067
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 7
Organism : Homo sapiens
P51665 ENSG00000103035
Protein: 26S proteasome
Description: 26S proteasome complex subunit SEM1
Organism : Homo sapiens
P60896 ENSG00000127922
Protein: 26S proteasome
Description: Proteasome subunit alpha type-6
Organism : Homo sapiens
P60900 ENSG00000100902
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 4
Organism : Homo sapiens
P62191 ENSG00000100764
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 8
Organism : Homo sapiens
P62195 ENSG00000087191
Protein: 26S proteasome
Description: 26S proteasome regulatory subunit 10B
Organism : Homo sapiens
P62333 ENSG00000100519
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 2
Organism : Homo sapiens
Q13200 ENSG00000175166
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 6
Organism : Homo sapiens
Q15008 ENSG00000163636
Protein: 26S proteasome
Description: Proteasomal ubiquitin receptor ADRM1
Organism : Homo sapiens
Q16186 ENSG00000130706
Protein: 26S proteasome
Description: Proteasome subunit alpha-type 8
Organism : Homo sapiens
Q8TAA3 ENSG00000154611
Protein: 26S proteasome
Description: Proteasome subunit beta type-7
Organism : Homo sapiens
Q99436 ENSG00000136930
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 1
Organism : Homo sapiens
Q99460 ENSG00000173692
Protein: 26S proteasome
Description: 26S proteasome non-ATPase regulatory subunit 13
Organism : Homo sapiens
Q9UNM6 ENSG00000185627
Assay Description Organism Bioactivity Reference
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 6.73 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 17.84 %
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 14.86 % 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 14.86 %

Cross References

Resources Reference
ChEBI 90939
ChEMBL CHEMBL3545432
FDA SRS 46CWK97Z3K
PubChem 56844015
SureChEMBL SCHEMBL4427479
ZINC ZINC000200299610
CONTENTS