peficitinib   Click here for help

GtoPdb Ligand ID: 8315

Synonyms: ASP015K | JNJ-54781532
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Peficitinib is a novel oral Janus kinase inhibitor [2] being investigated for potential anti-inflammatory action in autoimmune diseases including rheumatoid arthritis, psoriasis and ulcerative colitis.
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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
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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?
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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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