vatalanib (CHEBI:90620)

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ChEBI Name	vatalanib

ChEBI ID	CHEBI:90620

Definition	A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively.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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C20H15ClN4

Net Charge

Average Mass

346.814

Monoisotopic Mass

346.09852

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)

InChIKey

YCOYDOIWSSHVCK-UHFFFAOYSA-N

SMILES

N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.

ChEBI Ontology
Outgoing	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	vatalanib succinate (CHEBI:90623) has part vatalanib (CHEBI:90620)

IUPAC Name

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Synonyms	Sources
CGP 79787	ChemIDplus
CGP-79787	ChemIDplus
CGP79787	ChEBI
N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine	ChemIDplus
N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine	ChEBI
PTK 787	ChEBI
PTK-787	ChEBI
PTK/ZK	ChEBI
PTK787	ChEBI
ZK-232934	ChemIDplus

Last Modified

25 February 2016