Drug General Information
Drug ID	D0LJ2F
Former ID	DNC007860
Drug Name	1,2-dicyclohexylethane-1,2-dione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529103]
Structure		Download 2D MOL 3D MOL
Formula	C14H22O2
Canonical SMILES	C1CCC(CC1)C(=O)C(=O)C2CCCCC2
InChI	1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey	ZWDFMOMBVDVEHE-UHFFFAOYSA-N
PubChem Compound ID	11806279
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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