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CHEBI:90620 - vatalanib

Default Structure
ChEBI IDCHEBI:90620
ChEBI Namevatalanib
Stars
DefinitionA member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H15ClN4
Net Charge0
Average Mass346.821
Monoisotopic Mass346.09852
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=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)
InChIKeyYCOYDOIWSSHVCK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vatalanib (CHEBI:90620) has role angiogenesis inhibitor (CHEBI:48422)
vatalanib (CHEBI:90620) has role antineoplastic agent (CHEBI:35610)
vatalanib (CHEBI:90620) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
vatalanib (CHEBI:90620) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
vatalanib (CHEBI:90620) is a monochlorobenzenes (CHEBI:83403)
vatalanib (CHEBI:90620) is a phthalazines (CHEBI:38768)
vatalanib (CHEBI:90620) is a pyridines (CHEBI:26421)
vatalanib (CHEBI:90620) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
vatalanib succinate (CHEBI:90623) has part vatalanib (CHEBI:90620)
IUPAC Name 
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
INNs  Source
vatalanibWHO MedNet
vatalanibWHO MedNet
vatalanibWHO MedNet
vatalanibWHO MedNet
Synonyms  Source
CGP 79787ChemIDplus
CGP-79787ChemIDplus
CGP79787ChEBI
N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamineChemIDplus
N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amineChEBI
PTK 787ChEBI
Manual XrefsDatabases
D06285KEGG DRUG
DB04879DrugBank
LSM-5774LINCS
VatalanibWikipedia
Registry NumbersSources
Reaxys:8638800Reaxys
CAS:212141-54-3ChemIDplus
Citations