CHEBI:131504 - PD 168393

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ChEBI Name PD 168393
ChEBI ID CHEBI:131504
Definition A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H13BrN4O
Net Charge 0
Average Mass 369.215
Monoisotopic Mass 368.02727
InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
InChIKey HTUBKQUPEREOGA-UHFFFAOYSA-N
SMILES C(C=C)(=O)NC1=CC2=C(N=CN=C2C=C1)NC=3C=C(C=CC3)Br
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): epidermal growth factor receptor antagonist
An antagonist at the epidermal growth factor receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PD 168393 (CHEBI:131504) has role epidermal growth factor receptor antagonist (CHEBI:74440)
PD 168393 (CHEBI:131504) is a acrylamides (CHEBI:22216)
PD 168393 (CHEBI:131504) is a bromobenzenes (CHEBI:37149)
PD 168393 (CHEBI:131504) is a quinazolines (CHEBI:38530)
PD 168393 (CHEBI:131504) is a secondary carboxamide (CHEBI:140325)
PD 168393 (CHEBI:131504) is a substituted aniline (CHEBI:48975)
IUPAC Name
N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
Synonyms Sources
4-[(3-bromophenyl)amino]-6-acrylamidoquinazoline ChEBI
PD-168393 ChemIDplus
PD168393 ChemIDplus
Registry Numbers Types Sources
194423-15-9 CAS Registry Number ChemIDplus
8341355 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24708754 PubMed citation Europe PMC
24818668 PubMed citation Europe PMC
25238247 PubMed citation Europe PMC
25514049 PubMed citation Europe PMC
25780091 PubMed citation Europe PMC
26486084 PubMed citation Europe PMC
26883518 PubMed citation Europe PMC
Last Modified
07 March 2018