solcitinib   Click here for help

GtoPdb Ligand ID: 9697

Synonyms: compound 1 [WO2010149771] | GLPG-0778 | GLPG0778 | GSK2586184
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Solcitinib is a Janus kinase 1 (JAK1)-selective inhibitor, with anti-inflammatory activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 79.6
Molecular weight 389.19
XLogP 3.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C
Isomeric SMILES O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C
InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)
InChI Key MPYACSQFXVMWNO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
International Nonproprietary Names Click here for help
INN number INN
10047 solcitinib
Synonyms Click here for help
compound 1 [WO2010149771] | GLPG-0778 | GLPG0778 | GSK2586184
Database Links Click here for help
BitterDB Ligand 128101
CAS Registry No. 1206163-45-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL3301606
GtoPdb PubChem SID 348353656
PubChem CID 44603362
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