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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.