Drug General Information
Drug ID
D0E5ZP
Former ID
DNC007196
Drug Name
7-(trifluoromethyl)-1H-indole-2,3-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528749]
Structure
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2D MOL

3D MOL

Formula
C9H4F3NO2
Canonical SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O
InChI
1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChIKey
MXLDJTXXAYVWDF-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [528749]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 528749J Med Chem. 2007 Apr 19;50(8):1876-85. Epub 2007 Mar 23.Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.
Ref 528749J Med Chem. 2007 Apr 19;50(8):1876-85. Epub 2007 Mar 23.Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.

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