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CHEBI:91076 - PD-153035

ChEBI IDCHEBI:91076
ChEBI NamePD-153035
Stars
DefinitionA member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
Last Modified3 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H14BrN3O2
Net Charge0
Average Mass360.211
Monoisotopic Mass359.02694
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
InChIInChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLSPANGZZENHZNJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
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).
ChEBI Ontology
Outgoing Relation(s)
PD-153035 (CHEBI:91076) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
PD-153035 (CHEBI:91076) has role epidermal growth factor receptor antagonist (CHEBI:74440)
PD-153035 (CHEBI:91076) is a aromatic amine (CHEBI:33860)
PD-153035 (CHEBI:91076) is a aromatic ether (CHEBI:35618)
PD-153035 (CHEBI:91076) is a bromobenzenes (CHEBI:37149)
PD-153035 (CHEBI:91076) is a quinazolines (CHEBI:38530)
PD-153035 (CHEBI:91076) is a secondary amino compound (CHEBI:50995)
PD-153035 (CHEBI:91076) is conjugate base of PD-153035(1+) (CHEBI:91077)
Incoming Relation(s)
PD-153035(1+) (CHEBI:91077) is conjugate acid of PD-153035 (CHEBI:91076)
IUPAC Name 
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
Synonyms  Source
PD 153035ChEBI
PD153035ChEBI
4-(3-Bromophenylamino)-6,7-dimethoxyquinazolineChemIDplus
(3-Bromophenyl)(6,7-dimethoxyquinazolin-4-yl)amineChemIDplus
NSC-669364ChemIDplus
SU-5271ChemIDplus
Registry NumbersSources
Reaxys:7384032Reaxys
CAS:153436-54-5ChemIDplus
Citations