peficitinib

Ligand id: 8315

Name: peficitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 104.03
Molecular weight 326.17
XLogP 0.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
International Nonproprietary Names
INN number INN
9910 peficitinib
Synonyms
ASP015K | JNJ-54781532
Database Links
CAS Registry No. 944118-01-8
ChEMBL Ligand CHEMBL3137308
PubChem CID 57928403
Search Google for chemical match using the InChIKey DREIJXJRTLTGJC-JQCLMNFQSA-N
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Search UniChem for chemical match using the InChIKey DREIJXJRTLTGJC-JQCLMNFQSA-N
Search UniChem for chemicals with the same backbone DREIJXJRTLTGJC
Comments
Peficitinib is a novel oral Janus kinase inhibitor [1] being investigated for potential anti-inflammatory action in autoimmune diseases including rheumatoid arthritis, psoriasis and ulcerative colitis.