CHEBI:63453 - AZD4547

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name AZD4547
ChEBI ID CHEBI:63453
Definition A member of the class of benzamides that is a carboxamide resulting from the formal condensation of the carboxy group of 4-(cis-3,5-dimethylpiperazin-1-yl)benzoic acid with the amino substituent of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine. It is an inhibitor of the fibroblast growth factor receptor (FGFR).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C26H33N5O3
Net Charge 0
Average Mass 463.57190
Monoisotopic Mass 463.25834
InChI InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
InChIKey VRQMAABPASPXMW-HDICACEKSA-N
SMILES COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1
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): fibroblast growth factor receptor antagonist
An antagonist at the fibroblast growth factor receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing AZD4547 (CHEBI:63453) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
AZD4547 (CHEBI:63453) is a N-arylpiperazine (CHEBI:46848)
AZD4547 (CHEBI:63453) is a benzamides (CHEBI:22702)
AZD4547 (CHEBI:63453) is a pyrazoles (CHEBI:26410)
IUPAC Name
N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Synonyms Sources
AZD-4547 ChEBI
N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide ChEBI
Manual Xref Database
LSM-6308 LINCS
View more database links
Last Modified
25 February 2016