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CHEBI:46552 - 3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide

Default Structure
ChEBI IDCHEBI:46552
ChEBI Name3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide
Stars
ASCII Name3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide
DefinitionA member of the class of benzamides obtained by formal condensation of the carboxy group of 3-fluoro-5-morpholin-4-ylbenzoic acid with the amino group of 1-[2-(pyridin-4-yl)ethyl]indol-6-amine
Last Modified25 November 2015
DownloadsMolfile
FormulaC26H25FN4O2
Net Charge0
Average Mass444.510
Monoisotopic Mass444.19615
SMILESO=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
InChIKeyCPFBZMFUCGHBAP-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) is a aminoalkylpyridine (CHEBI:38198)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) is a benzamides (CHEBI:22702)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) is a indoles (CHEBI:24828)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) is a monofluorobenzenes (CHEBI:83575)
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)-1H-indol-6-yl]benzamide (CHEBI:46552) is a morpholines (CHEBI:38785)
IUPAC Name 
3-fluoro-5-(morpholin-4-yl)-N-{1-[2-(pyridin-4-yl)ethyl]-1H-indol-6-yl}benzamide
Manual XrefsDatabases
DB08730DrugBank
WBTPDBeChem
Registry NumbersSources
Reaxys:9960763Reaxys
Citations