MARIZOMIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 703P9YDP7F

Structure

InChI Key NGWSFRIPKNWYAO-SHTIJGAHSA-N
Smiles C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl
InChI
InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20ClNO4
Molecular Weight 313.78
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 75.63
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
20S proteosome inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 0.604-430 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.604-430 - 23-97 -
Oryctolagus cuniculus
- 2.5-460 - - -
Plasmodium falciparum
11 - - - -
Saccharomyces cerevisiae
- 1.9-59 - - -

Target Conservation

Protein: 20S proteasome
Description: Proteasome subunit beta type-11
Organism : Homo sapiens
A5LHX3 ENSG00000222028
Protein: 20S proteasome
Description: Proteasome subunit alpha type-7
Organism : Homo sapiens
O14818 ENSG00000101182
Protein: 20S proteasome
Description: Proteasome subunit beta type-1
Organism : Homo sapiens
P20618 ENSG00000008018
Protein: 20S proteasome
Description: Proteasome subunit alpha type-1
Organism : Homo sapiens
P25786 ENSG00000129084
Protein: 20S proteasome
Description: Proteasome subunit alpha type-2
Organism : Homo sapiens
P25787 ENSG00000106588
Protein: 20S proteasome
Description: Proteasome subunit alpha type-3
Organism : Homo sapiens
P25788 ENSG00000100567
Protein: 20S proteasome
Description: Proteasome subunit alpha type-4
Organism : Homo sapiens
P25789 ENSG00000041357
Protein: 20S proteasome
Description: Proteasome subunit beta type-8
Organism : Homo sapiens
P28062 ENSG00000204264
Protein: 20S proteasome
Description: Proteasome subunit beta type-9
Organism : Homo sapiens
P28065 ENSG00000240065
Protein: 20S proteasome
Description: Proteasome subunit alpha type-5
Organism : Homo sapiens
P28066 ENSG00000143106
Protein: 20S proteasome
Description: Proteasome subunit beta type-4
Organism : Homo sapiens
P28070 ENSG00000159377
Protein: 20S proteasome
Description: Proteasome subunit beta type-6
Organism : Homo sapiens
P28072 ENSG00000142507
Protein: 20S proteasome
Description: Proteasome subunit beta type-5
Organism : Homo sapiens
P28074 ENSG00000100804
Protein: 20S proteasome
Description: Proteasome subunit beta type-10
Organism : Homo sapiens
P40306 ENSG00000205220
Protein: 20S proteasome
Description: Proteasome subunit beta type-3
Organism : Homo sapiens
P49720 ENSG00000277791
Protein: 20S proteasome
Description: Proteasome subunit beta type-2
Organism : Homo sapiens
P49721 ENSG00000126067
Protein: 20S proteasome
Description: Proteasome subunit alpha type-6
Organism : Homo sapiens
P60900 ENSG00000100902
Protein: 20S proteasome
Description: Proteasome subunit alpha-type 8
Organism : Homo sapiens
Q8TAA3 ENSG00000154611
Protein: 20S proteasome
Description: Proteasome subunit beta type-7
Organism : Homo sapiens
Q99436 ENSG00000136930

Cross References

Resources Reference
ChEBI 48045
ChEMBL CHEMBL371405
DrugBank DB11762
FDA SRS 703P9YDP7F
PubChem 11347535
SureChEMBL SCHEMBL151667
ZINC ZINC000003990364
CONTENTS