Drug Information

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]
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 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.

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