Drug Information

Drug General Information
Drug ID
D0Z1WQ
Former ID
DNC005436
Drug Name
3,5-Di-tert-butyl-[1,2]benzoquinone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C14H20O2
Canonical SMILES
CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
InChI
1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChIKey
NOUZOVBGCDDMSX-UHFFFAOYSA-N
PubChem Compound ID
76915
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [527510]
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 527510J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Ref 527510J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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