CHEBI:90620 - vatalanib

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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Definition A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively.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 0
Average Mass 346.814
Monoisotopic Mass 346.099
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.
View more via ChEBI Ontology
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
INNs Sources
vatalanib WHO MedNet
vatalanib WHO MedNet
vatalanib WHO MedNet
vatalanib WHO MedNet
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
Manual Xrefs Databases
D06285 KEGG DRUG
DB04879 DrugBank
LSM-5774 LINCS
Vatalanib Wikipedia
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Registry Numbers Types Sources
212141-54-3 CAS Registry Number ChemIDplus
8638800 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
25 February 2016