OPROZOMIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MZ37792Y8J

Structure
InChI Key SWZXEVABPLUDIO-WSZYKNRRSA-N
Smile COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
InChI
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32N4O7S
Molecular Weight 532.62
AlogP 0.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 148.25
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 26S proteosome inhibitor PubMed PubMed PubMed
Primary Target
proteasome 20S subunit beta 5
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 10-47 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Waldenstrom Macroglobulinemia 1 D008258 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 935888-69-0
ChEMBL CHEMBL2103884
DrugBank DB11991
FDA SRS MZ37792Y8J
Guide to Pharmacology 8739
PubChem 25067547
SureChEMBL SCHEMBL1709971
ZINC ZINC000043202141
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