680C91 (CHEBI:131851)

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ChEBI Name	680C91

ChEBI ID	CHEBI:131851

Definition	A fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration).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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	TheOtherDave

Supplier Information

Download	Molfile XML SDF

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Formula

C15H11FN2

Net Charge

Average Mass

238.260

Monoisotopic Mass

238.09063

InChI

InChI=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+

InChIKey

YBSDQTBCNYWBMX-ONEGZZNKSA-N

SMILES

C=1(C=CC2=C(C1)NC=C2/C=C/C=3C=NC=CC3)F

Roles Classification
Biological Role(s):	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	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

Last Modified

19 May 2016