General
Preferred name
MARIZOMIB
Synonyms
(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-[(1S)-cyclohex-2-en-1-yl](hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione ()
Salinosporamide A ()
NPI-0052 ()
Salinosporamide a ()
P&D ID
PD017139
CAS
437742-34-2
Tags
covalent binder
drug candidate
available
Drug indication
Multiple myeloma
Solid tumour/cancer
Malignant glioma
Glioblastoma of brain
Lymphoma
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Marizomib (Salinosporamide A) is a second-generation, irreversible, brain-penetrant, pan-proteasome inhibitor. Marizomib inhibits the CT-L (¦Â5), CT-T-laspase-like (C-L, ¦Â1) and trypsin-like (T-L, ¦Â2) activities of the 20S proteasome (IC50=3.5, 28, and 430 nM, respectively)[1][2][3].
PRICE 90
DESCRIPTION Marizomib is a novel irreversible brain-permeable proteasome inhibitor that inhibits CT-L (??5), CT-T-laspase-like (C-L, ??1), and trypsin-like (T-L, ??2) 20S proteasomes with IC50s of 3.5, 28, and 430 nM.[3]
Cell lines
3
Organisms
2
Compound Sets
11
AdooQ Bioactive Compound Library
A13853
Cayman Chemical Bioactives
10007311
ChEMBL Drugs
CHEMBL371405
CovalentInDB
CI000472
CovBinderInPDB
CBR000334
CBR000333
CBR000332
CBR000331
CBR000330
CBR000329
DrugBank
DB11762
DrugMAP
DME9QGW
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL371405
MedChem Express Bioactive Compound Library
HY-10985
ReFrame library
ZINC Tool Compounds
ZINC000003990364
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
313.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
1.13
TPSA
75.63
Fraction CSP3
0.73
Chiral centers
5.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Proteasome
Pathway
Metabolic Enzyme/Protease
Source data