General
Preferred name
BATIMASTAT
Synonyms
Batimastat (sodium salt) ()
BB-94 sodium salt ()
BB94 ()
Batimastat (BB-94) ()
Batimastat sodium salt ()
BB-94 ()
P&D ID
PD007159
CAS
130370-60-4
130464-84-5
Tags
available
drug candidate
Drug indication
Idiopathic pulmonary fibrosis
Antineoplastic
Drug Status
experimental
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 Batimastat (BB-94) is a broad-spectrum matrix metalloprotease (MMP) inhibitor. It inhibits MMPs by binding the zinc ion in the active site of the enzymes. (GtoPdb)
DESCRIPTION GAPDH inhibitor; neuroprotective (Tocris Bioactive Compound Library)
DESCRIPTION Batimastat sodium salt (BB-94) is a potent, broad spectrum matrix metalloprotease (MMPs) inhibitor with IC50s of 3/4/20/6/4 nM for MMP-1/2/3/7/9 respectively. (BOC Sciences Bioactive Compounds)
Compound Sets
17
AdooQ Bioactive Compound Library
A12985
BOC Sciences Bioactive Compounds
batimastat-sodium-salt-cas-130464-84-5-item-84-82989
Cayman Chemical Bioactives
14742
ChEMBL Drugs
CHEMBL279786
Drug Repurposing Hub
DrugBank
DB03880
DrugMAP
DM92VRP
EU-OPENSCREEN Bioactive Compound Library
EOS101167
Guide to Pharmacology
5145
JUMP-Target 1 Compound Set
5362422
MedChem Express Bioactive Compound Library
HY-13564
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
bb-94
TargetMol Bioactive Compound Library
T6011
Tocris Bioactive Compound Library
2961
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
477.18
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
12
Ring Count
2
Aromatic Ring Count
2
cLogP
3.1
TPSA
107.53
Fraction CSP3
0.43
Chiral centers
3.0
Largest ring
6.0
QED
0.21
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Metabolic Enzyme/Protease
Target
MMP-1
MMP-2
MMP-3
MMP-7
MMP-9
ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8
MMP2
MMP
Primary Target
Matrix Metalloproteases
MOA
Inhibitor
Angiogenesis Inhibitors
Matrix Metalloproteinase Inhibitors
"Angiogenesis Inhibitors
Matrix Metalloproteinase Inhibitors"
matrix metalloprotease inhibitor
Member status
member
Source data