peficitinib   Click here for help

GtoPdb Ligand ID: 8315

Synonyms: ASP015K | JNJ-54781532
Approved drug Immunopharmacology Ligand
peficitinib is an approved drug (Japan (2019))
Compound class: Synthetic organic
Comment: Peficitinib is an oral Janus kinase inhibitor [5] that was developed for potential anti-inflammatory action in autoimmune diseases including rheumatoid arthritis [6-7], psoriasis and ulcerative colitis [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 104.03
Molecular weight 326.17
XLogP 1.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(C3)(C4)O)cc[nH]2
Isomeric SMILES NC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(C3)(C4)O)cc[nH]2
InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?
InChI Key DREIJXJRTLTGJC-JQCLMNFQSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan (2019))
IUPAC Name Click here for help
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
International Nonproprietary Names Click here for help
INN number INN
9910 peficitinib
Synonyms Click here for help
ASP015K | JNJ-54781532
Database Links Click here for help
CAS Registry No. 944118-01-8
ChEMBL Ligand CHEMBL3137308
GtoPdb PubChem SID 252166527
PubChem CID 57928403
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UniChem Compound Search for chemical match using the InChIKey DREIJXJRTLTGJC-JQCLMNFQSA-N
UniChem Connectivity Search for chemical match using the InChIKey DREIJXJRTLTGJC-JQCLMNFQSA-N