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
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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)
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
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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