tesevatinib (CHEBI:167674)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167674 - tesevatinib

Take structure to advanced search

ChEBI ID	CHEBI:167674
ChEBI Name	tesevatinib
Stars
Definition	A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
Last Modified	15 March 2021
Submitter	R. Stephan
Downloads	Molfile

Formula	C24H25Cl2FN4O2
Net Charge	0
Average Mass	491.394
Monoisotopic Mass	490.13386
SMILES	[H][C@@]1(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4F)c3cc2OC)C[C@]2([H])CN(C)C[C@]2([H])C1
InChI	InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+
InChIKey	HVXKQKFEHMGHSL-QKDCVEJESA-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). epidermal growth factor receptor antagonist An antagonist at the epidermal growth factor receptor.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	tesevatinib (CHEBI:167674) has role antineoplastic agent (CHEBI:35610)
	tesevatinib (CHEBI:167674) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
	tesevatinib (CHEBI:167674) has role epidermal growth factor receptor antagonist (CHEBI:74440)
	tesevatinib (CHEBI:167674) is a aromatic ether (CHEBI:35618)
	tesevatinib (CHEBI:167674) is a dichlorobenzene (CHEBI:23697)
	tesevatinib (CHEBI:167674) is a diether (CHEBI:46786)
	tesevatinib (CHEBI:167674) is a monofluorobenzenes (CHEBI:83575)
	tesevatinib (CHEBI:167674) is a quinazolines (CHEBI:38530)
	tesevatinib (CHEBI:167674) is a secondary amino compound (CHEBI:50995)
	tesevatinib (CHEBI:167674) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}quinazolin-4-amine

INNs	Source
tesevatinib	WHO MedNet
tésévatinib	WHO MedNet
tesevatinibum	WHO MedNet
tesevatinib	WHO MedNet

Synonyms	Source
EXEL-7647	ChemIDplus
XL647	ChemIDplus
7-{[(3aR,5R,6aS)-2-methyl-octahydrocyclopenta[c]pyrrol-5-yl]methoxy}-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine	IUPAC
EXEL 7647	ChemIDplus
XL 647	ChemIDplus
KD-019	ChemIDplus

Manual Xrefs	Databases
DB11973	DrugBank
D11772	KEGG DRUG
Tesevatinib	Wikipedia
32699556	ChemSpider

Registry Numbers	Sources
CAS:781613-23-8	KEGG DRUG
CAS:781613-23-8	ChemIDplus

Citations