PDGF RTK inhibitor   

GtoPdb Ligand ID: 6021

Synonyms: Ki 11502 | PDGF Receptor Tyrosine Kinase Inhibitor V
Compound class: Synthetic organic
Comment: This is compound 2 in [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 113.8
Molecular weight 473.14
XLogP 5.03
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C
Isomeric SMILES COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C
InChI InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)
InChI Key ZXGIBSBJQLLUEE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-1-[(2-methylphenyl)carbonyl]thiourea
Synonyms
Ki 11502 | PDGF Receptor Tyrosine Kinase Inhibitor V
Database Links
CAS Registry No. 347155-76-4
ChEMBL Ligand CHEMBL2218930
GtoPdb PubChem SID 178102643
PubChem CID 11554659
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