BMS-986142

Ligand id: 9857

Name: BMS-986142

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 119.73
Molecular weight 572.22
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Synonyms
BMS986142 | compound 14f [PMID: 27583770]
Comments
BMS-986142 is a potent, highly selective and reversible small molecule BTK inhibitor [2-3], that is being investigated for anti-inflammatory potential [1].
Database Links
GtoPdb PubChem SID 363894151
PubChem CID 86582336
RCSB PDB Ligand 73T
Search Google for chemical match using the InChIKey ZRYMMWAJAFUANM-INIZCTEOSA-N
Search Google for chemicals with the same backbone ZRYMMWAJAFUANM
Search UniChem for chemical match using the InChIKey ZRYMMWAJAFUANM-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone ZRYMMWAJAFUANM
SynPHARM 84961 (in complex with Bruton tyrosine kinase)