PDGF receptor tyrosine kinase inhibitor IV   Click here for help

GtoPdb Ligand ID: 6020

Synonyms: JNJ-10198409
Compound class: Synthetic organic
Comment: This is compound 17 in [3].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 59.17
Molecular weight 325.12
XLogP 3.69
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
Isomeric SMILES COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F
InChI InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
platelet derived growth factor receptor beta Primary target of this compound Hs Inhibitor Inhibition 8.4 pIC50 - 3
pIC50 8.4 (IC50 4.2x10-9 M) [3]