BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

neratinib

Synonyms
Definitions

A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an ethoxy group at the 7-position.

ID

http://purl.obolibrary.org/obo/CHEBI_61397

alternative term

HKI-272

N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide

InChI=1S/C30H31ClN6O2/c1-4-38-29-17-26-24(16-27(29)34-13-7-8-14-37(2)3)30(21(18-32)19-35-26)36-22-10-11-28(25(31)15-22)39-20-23-9-5-6-12-33-23/h5-12,15-17,19,34H,4,13-14,20H2,1-3H3,(H,35,36)/b8-7+

neratinib

(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

InChIKey=ZNHPZUKZSNBOSQ-BQYQJAHWSA-N

HKI 272

C30H31ClN6O2

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NCC=CCN(C)C

definition

A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an ethoxy group at the 7-position.

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_38637

label

neratinib

prefixIRI

CHEBI:61397

prefLabel

neratinib

subClassOf

http://purl.obolibrary.org/obo/CHEBI_26513

http://purl.obolibrary.org/obo/CHEBI_18379

Delete Subject Author Type Created
No notes to display