Drug Information

Drug General Information
Drug ID
D01XGP
Former ID
DNC007854
Drug Name
1,2-indanedione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C9H6O2
Canonical SMILES
C1C2=CC=CC=C2C(=O)C1=O
InChI
1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
InChIKey
WFFZGYRTVIPBFN-UHFFFAOYSA-N
PubChem Compound ID
123358
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [529103]
Cholinesterase Target Info Inhibitor [529103]
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 NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450WP229:Irinotecan Pathway
References
Ref 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.
Ref 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.