Drug Information

Drug General Information
Drug ID
D07EDG
Former ID
DNC007179
Drug Name
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528749]
Formula
C15H9Cl2NO2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl
InChI
1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
InChIKey
KGRJPLRFGLMQMV-UHFFFAOYSA-N
PubChem Compound ID
1901244
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [528749]
Liver carboxylesterase Target Info Inhibitor [528749]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database E2F transcription factor network
WikiPathways Irinotecan PathwayWP2884: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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