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ChEBI
> Main
CHEBI:91076 - PD-153035
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ChEBI Ontology
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ChEBI Name
PD-153035
ChEBI ID
CHEBI:91076
Definition
A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H14BrN3O2
Net Charge
0
Average Mass
360.205
Monoisotopic Mass
359.02694
InChI
InChI=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)
InChIKey
LSPANGZZENHZNJ-UHFFFAOYSA-N
SMILES
N1=C2C(=C(N=C1)NC3=CC=CC(=C3)Br)C=C(C(=C2)OC)OC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
PD-153035(1+) (
CHEBI:91077
)
is conjugate acid of
PD-153035 (
CHEBI:91076
)
IUPAC Name
N
-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
Synonyms
Sources
(3-Bromophenyl)(6,7-dimethoxyquinazolin-4-yl)amine
ChemIDplus
4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline
ChemIDplus
AG-1517
ChemIDplus
NSC-669364
ChemIDplus
PD 153035
ChEBI
PD153035
ChEBI
SU-5271
ChemIDplus
Registry Numbers
Types
Sources
153436-54-5
CAS Registry Number
ChemIDplus
7384032
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23765435
PubMed citation
Europe PMC
26125777
PubMed citation
Europe PMC
26334931
PubMed citation
Europe PMC
26464147
PubMed citation
Europe PMC
Last Modified
03 February 2016