PDGF receptor tyrosine kinase inhibitor II   

GtoPdb Ligand ID: 6018

Synonyms: bis(1H-2-indolyl)methanone deriv. 52 | D-65476
Compound class: Synthetic organic
Comment: This is compound 52 in [3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 74.95
Molecular weight 346.13
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
Isomeric SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
InChI InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3
InChI Key CZDUJGOCEPWCNA-UHFFFAOYSA-N
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 alpha Mm Inhibitor Inhibition 6.0 pIC50 - 3
pIC50 6.0 (IC50 1.1x10-6 M) [3]
Description: Inhibition of PDGFR in intact Swiss 3T3 fibroblasts