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CHEBI:131851 - 680C91

ChEBI IDCHEBI:131851
ChEBI Name680C91
Stars
DefinitionA fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin.
Last Modified19 May 2016
SubmitterTheOtherDave
DownloadsMolfile
FormulaC15H11FN2
Net Charge0
Average Mass238.265
Monoisotopic Mass238.09063
SMILESFc1ccc2c(/C=C/c3cccnc3)cnc2c1
InChIInChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
InChIKeyYBSDQTBCNYWBMX-ONEGZZNKSA-N
Roles Classification
Biological Role:
EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor  An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of tryptophan 2,3-dioxygenase (EC 1.13.11.11).
ChEBI Ontology
Outgoing Relation(s)
680C91 (CHEBI:131851) has role EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor (CHEBI:131961)
680C91 (CHEBI:131851) is a fluoroindole (CHEBI:131960)
680C91 (CHEBI:131851) is a olefinic compound (CHEBI:78840)
680C91 (CHEBI:131851) is a pyridines (CHEBI:26421)
IUPAC Name 
6-fluoro-3-[(E)-2-(pyridin-3-yl)vinyl]-1H-indole
Registry NumbersSources
Reaxys:7640361Reaxys
CAS:163239-22-3SUBMITTER
Citations