Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 703P9YDP7F

Structure

InChI Key NGWSFRIPKNWYAO-SHTIJGAHSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR 20S proteosome inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 4-22 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 3 D005909 ClinicalTrials
Ependymoma 2 D004806 ClinicalTrials
Ependymoma 2 D004806 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 437742-34-2
ChEBI 48045
ChEMBL CHEMBL371405
DrugBank DB11762
FDA SRS 703P9YDP7F
PubChem 11347535
SureChEMBL SCHEMBL151667
ZINC ZINC000003990364