BMS-986165

Ligand id: 10432

Name: BMS-986165

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 135.95
Molecular weight 422.18
XLogP 1.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Synonyms
compound 11 [PMID: 31318208} | Tyk2-IN-4
Comments
BMS-986165 is a selective, orally active, allosteric inhibitor of the Janus kinase family enzyme, tyrosine kinase 2 (TYK2) [2,4]. The deuteromethyl amide group confers selectivity by virtue of binding to a pocket in the TYK2 JH2 ligand binding domain.
Database Links
CAS Registry No. 1609392-27-9 (source: PubChem)
GtoPdb PubChem SID 385612192
PubChem CID 134821691
Search Google for chemical match using the InChIKey BZZKEPGENYLQSC-FIBGUPNXSA-N
Search Google for chemicals with the same backbone BZZKEPGENYLQSC
Search UniChem for chemical match using the InChIKey BZZKEPGENYLQSC-FIBGUPNXSA-N
Search UniChem for chemicals with the same backbone BZZKEPGENYLQSC