vatalanib   Click here for help

GtoPdb Ligand ID: 5705

Synonyms: CGP 79787 | CGP-7978 | PTK787 | pynasunate | ZK-232934 | ZK222584
Compound class: Synthetic organic
Comment: Vatalanib is a potent and orally biovailable inhibitor of vascular endothelial growth factor (VEGF) receptor tyrosine kinases [8].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.7
Molecular weight 346.1
XLogP 4.36
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1
Isomeric SMILES Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1
InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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
7994 vatalanib
Synonyms Click here for help
CGP 79787 | CGP-7978 | PTK787 | pynasunate | ZK-232934 | ZK222584
Database Links Click here for help
CAS Registry No. 212141-54-3
ChEMBL Ligand CHEMBL101253
DrugBank Ligand DB04879
GtoPdb PubChem SID 178102332
PubChem CID 151194
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UniChem Compound Search for chemical match using the InChIKey YCOYDOIWSSHVCK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YCOYDOIWSSHVCK-UHFFFAOYSA-N
Wikipedia Vatalanib