JAK3 inhibitor VI   Click here for help

GtoPdb Ligand ID: 5995

Synonyms: HMS3229G13
Compound class: Synthetic organic
Comment: Parent compound has PubChem CID 9947841.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CS(=O)(=O)O.O=C1Nc2c(C1=Cc1ccc[nH]1)cc(cc2)c1cccnc1
Isomeric SMILES CS(=O)(=O)O.O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1
InChI InChI=1S/C18H13N3O.CH4O3S/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13;1-5(2,3)4/h1-11,20H,(H,21,22);1H3,(H,2,3,4)/b16-10-;
InChI Key ZUDPNBZMAJGYTE-HYMQDMCPSA-N
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
leucine rich repeat kinase 2 Hs Inhibitor Inhibition 7.7 pIC50 -
pIC50 7.7 (IC50 2.2x10-8 M)