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CHEBI:63453 - AZD4547

ChEBI IDCHEBI:63453
ChEBI NameAZD4547
Stars
DefinitionA 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).
Last Modified25 February 2016
SubmitterBijay
DownloadsMolfile
FormulaC26H33N5O3
Net Charge0
Average Mass463.582
Monoisotopic Mass463.25834
SMILESCOc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)nn2)cc(OC)c1
InChIInChI=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+
InChIKeyVRQMAABPASPXMW-HDICACEKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
fibroblast growth factor receptor antagonist  An antagonist at the fibroblast growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
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  Source
AZD-4547ChEBI
N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamideChEBI
Manual XrefsDatabases
LSM-6308LINCS