BMS-986195

Ligand id: 9869

Name: BMS-986195

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 91.22
Molecular weight 370.18
XLogP 2.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Synonyms
BMS986195 | Example 223 [US20160115126A1]
Comments
BMS-986195 is a potent, covalent, irreversible inhibitor of the TEC family non-receptor tyrosine kinase, Bruton's tyrosine kinase (BTK). BTK is essential in antigen-dependent B-cell signaling and function, and is a therapeutic target for oncology and rheumatic diseases. BMS-986195 is a clinical lead for the treatment of rheumatoid arthritis, as claimed in Bristol-Myers Squibb's patent US20160115126A1 (Example 223) [1].
Database Links
GtoPdb PubChem SID 363894163
PubChem CID 121293929
Search Google for chemical match using the InChIKey VJPPLCNBDLZIFG-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone VJPPLCNBDLZIFG
Search UniChem for chemical match using the InChIKey VJPPLCNBDLZIFG-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone VJPPLCNBDLZIFG