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CHEBI:233413 - Denifanstat

Default Structure
ChEBI IDCHEBI:233413
ChEBI NameDenifanstat
Stars
DefinitionDenifanstat is an orally bioavailable fatty acid synthase (FASN) inhibitor, with potential antineoplastic activity. Upon administration, denifanstat binds to and blocks FASN, which prevents the synthesis of palmitate needed for tumor cell growth and survival.
Submitterlbonaobra
DownloadsMolfile
FormulaC27H29N5O
Net Charge0
Average Mass439.563
Monoisotopic Mass439.23721
SMILESCc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1
InChIInChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
InChIKeyBBGOSBDSLYHMRA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Denifanstat (CHEBI:233413) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1399177-37-7SUBMITTER
4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrileSUBMITTER
TVB-2640SUBMITTER
Registry NumbersSources
CAS:1399177-37-7SUBMITTER