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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DefinitionA member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively.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:
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
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).
Applications:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
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.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
vatalanib (CHEBI:90620) has role angiogenesis inhibitor (CHEBI:48422)
vatalanib (CHEBI:90620) has role antifibrotic agent (CHEBI:233423)
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 ophthalmology drug (CHEBI:66981)
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 organic molecular entity (CHEBI:50860)
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
BAY-86-5127ChEMBL
CGP 79787ChemIDplus
CGP-79787ChemIDplus
CGP79787ChEBI
N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamineChemIDplus
N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amineChEBI
Manual XrefsDatabases
D06285KEGG DRUG
DB04879DrugBank
LSM-5774LINCS
VatalanibWikipedia
Registry NumbersSources
Reaxys:8638800Reaxys
CAS:212141-54-3ChemIDplus
Citations