Drug Information

Drug General Information
Drug ID
D05XRY
Former ID
DNC007855
Drug Name
11,12-dihydro-dibenzo[a,e]cyclooctene-5,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C16H12O2
Canonical SMILES
C1CC2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C31
InChI
1S/C16H12O2/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18/h1-8H,9-10H2
InChIKey
FBFVXHNJGVOZPS-UHFFFAOYSA-N
PubChem Compound ID
2752926
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [529103]
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 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.