General
Preferred name
BATIMASTAT
Synonyms
BB-94 sodium salt ()
BB94 ()
Batimastat (BB-94) ()
Batimastat (sodium salt) ()
BB-94 (sodium salt) ()
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
Drug Status
experimental
investigational
Max Phase
2.0
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 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 Batimastat is a potent broad spectrum MMP inhibitor with IC50 of 3, 4, 4, 6, and 20 nM for MMP-1, MMP-2, MMP-9, MMP-7 and MMP-3, respectively.
PRICE 172
DESCRIPTION GAPDH inhibitor; neuroprotective (Tocris Bioactive Compound Library)
DESCRIPTION Batimastat (BB94) (BB-94) is an effective, broad-spectrum matrix metalloprotease (MMP) inhibitor. Batimastat induces extracellular matrix degradation and inhibits angiogenesis, tumor growth and invasion, and metastasis. (TargetMol 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
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
JUMP-Target 1 Compound Set
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
External IDs
44
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
Custom attributes
(extracted from source data)
Target
MMP
MMP-1
MMP-2
MMP-3
MMP-7
MMP-9
ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8
MMP2
Primary Target
Matrix Metalloproteases
MOA
Inhibitor
Angiogenesis Inhibitors
Matrix Metalloproteinase Inhibitors
"Angiogenesis Inhibitors
Matrix Metalloproteinase Inhibitors"
matrix metalloprotease inhibitor
Member status
member
Pathway
Metabolic Enzyme/Protease
Proteases/Proteasome
Source data