Drug Information

Drug General Information
Drug ID
D0ZL6B
Former ID
DNC007187
Drug Name
1-hexadecyl-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
C24H37NO2
Canonical SMILES
CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O
InChI
1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3
InChIKey
JLUGWHXZCKLPBY-UHFFFAOYSA-N
PubChem Compound ID
3772674
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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