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CHEBI:232356 - ML309

Default Structure
ChEBI IDCHEBI:232356
ChEBI NameML309
Stars
Last Modified29 January 2026
SubmitterFlyBase
DownloadsMolfile
FormulaC29H29FN4O2
Net Charge0
Average Mass484.575
Monoisotopic Mass484.22745
SMILESCc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cn1cnc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C29H29FN4O2/c1-20-9-2-5-14-24(20)28(29(36)32-22-11-3-4-12-22)34(23-13-8-10-21(30)17-23)27(35)18-33-19-31-25-15-6-7-16-26(25)33/h2,5-10,13-17,19,22,28H,3-4,11-12,18H2,1H3,(H,32,36)
InChIKeyGZLNOSRHZLTDMT-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of any isocitrate dehydrogenase (EC 1.1.1.42).
ChEBI Ontology
Outgoing Relation(s)
ML309 (CHEBI:232356) has role EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor (CHEBI:145410)
ML309 (CHEBI:232356) is a benzimidazoles (CHEBI:22715)
ML309 (CHEBI:232356) is a cyclopentanes (CHEBI:23493)
ML309 (CHEBI:232356) is a monofluorobenzenes (CHEBI:83575)
ML309 (CHEBI:232356) is a secondary carboxamide (CHEBI:140325)
ML309 (CHEBI:232356) is a tertiary carboxamide (CHEBI:140326)
ML309 (CHEBI:232356) is a toluenes (CHEBI:27024)
IUPAC Name 
2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
Citations