ZM 323881 hydrochloride (CHEBI:91182)

CHEBI:91182 - ZM 323881 hydrochloride

ChEBI ID	CHEBI:91182
ChEBI Name	ZM 323881 hydrochloride
Stars
Definition	A hydrochloride obtained by combining ZM 323881 with one molar equivalent of hydrochloric acid.
Last Modified	15 February 2016
Submitter	Steve
Downloads	Molfile

Formula	C22H18FN3O2.HCl
Net Charge	0
Average Mass	411.864
Monoisotopic Mass	411.11498
SMILES	Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.Cl
InChI	InChI=1S/C22H18FN3O2.ClH/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15;/h2-11,13,27H,12H2,1H3,(H,24,25,26);1H
InChIKey	AVRHWGLIYGJSOD-UHFFFAOYSA-N

Roles Classification

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.

ChEBI Ontology

Outgoing Relation(s)
	ZM 323881 hydrochloride (CHEBI:91182) has part ZM 323881(1+) (CHEBI:91187)
	ZM 323881 hydrochloride (CHEBI:91182) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
	ZM 323881 hydrochloride (CHEBI:91182) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
	ZM 323881 hydrochloride (CHEBI:91182) is a hydrochloride (CHEBI:36807)

IUPAC Names
7-(benzyloxy)-N-(2-fluoro-5-hydroxy-4-methylphenyl)quinazolin-4-aminium chloride
5-{[7-(benzyloxy)quinazolin-4-yl]amino}-4-fluoro-2-methylphenol hydrochloride

Registry Numbers	Sources
Reaxys:13172661	Reaxys