General
Preferred name
BMS-561392
Synonyms
BMS-561392 Formic acid(611227-74-8 Free base) ()
DPC-333 ()
BMS-561392 (formate) ()
DPC 333 (formate) ()
BMS561392 ()
BMS-561392 Formic acid ()
P&D ID
PD052167
CAS
611227-74-8
2922280-85-9
Tags
available
drug candidate
Drug indication
Inflammatory bowel disease
Rheumatoid arthritis
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
TNF alpha converting enzyme inhibitor
(GtoPdb)
DESCRIPTION
BMS-561392 formate is the formate form of BMS-561392 (HY-19667). BMS-561392 is a TNF alpha-converting enzyme (TACE) inhibitor. BMS-561392 is also an ADAM17 blocker. BMS-561392 can be used for research of inflammatory bowel disease[1][2].
PRICE
668
DESCRIPTION
BMS561392 is a tumor necrosis factor-alpha (TNF alpha) converting enzyme inhibitor. It has the potential treatment of diseases characterized by overproduction of TNF alpha, such as rheumatoid arthritis (RA). It was developed by Bristol-Myers Squibb and was in clinic phase 2 trials, but now it is terminated.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
BMS-561392 Formic acid is a selective inhibitor of TACE and reduces TNFalpha levels.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
476.24
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
3.43
TPSA
117.78
Fraction CSP3
0.37
Chiral centers
2.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ADAM17/TACE
TNF Receptor
Member status
member
MOA
ADAM17 (TNF-alpha-Converting Enzyme (TACE) Inhibitors)
Pathway
Apoptosis
Proteases/Proteasome
Solubility
Soluble in DMSO, not in water
Source data
