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
SMILES / InChI / InChIKey
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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)
InChI Key YCOYDOIWSSHVCK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
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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Wikipedia Vatalanib