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]
Structure		Download 2D MOL 3D MOL
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 529103	J 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 529103	J 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.

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