Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMNBA0G)

Drug Name

BENZOQUINONE Drug Info

Synonyms

p-benzoquinone; Benzoquinone; 1,4-BENZOQUINONE; Quinone; 106-51-4; p-Quinone; Chinone; 2,5-Cyclohexadiene-1,4-dione; para-Benzoquinone; cyclohexa-2,5-diene-1,4-dione; Cyclohexadienedione; para-Quinone; 1,4-Benzoquine; Steara pbq; 1,4-Dioxybenzene; p-Chinon; 1,4-Cyclohexadienedione; Benzo-chinon; Benzo-1,4-quinone; 1,4-Diossibenzene; Chinon; 1,4-Dioxy-benzol; 1,4-Cyclohexadiene dioxide; Semiquinone anion; semiquinone radicals; RCRA waste number U197; p-Chinon [German]; NCI-C55845; Caswell No. 719C; Benzo-chinon [German]; USAF P-220

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 4650
ChEBI ID: CHEBI:16509
CAS Number: CAS 106-51-4
TTD Drug ID: DMNBA0G
INTEDE Drug ID: DR2205

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[2]
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Nitroreductase (NTR)	DEAN5EW	NFSB_ENTCL	Investigative	[3]
Retro-nitroreductase (rNR)	DEKVGPX	A0A0H3CM55_ENTCC	Investigative	[4]
Sulfide-quinone reductase (SQR)	DEGLTNR	SQRD_ACIF2	Investigative	[5]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Acetylcholinesterase (AChE)	DTT	ACHE	1.678	1.926	1.766	5.252

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6307).
2	Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15.
3	Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.
4	Retro-nitroreductase, a putative evolutionary precursor to Enterobacter cloacae strain 96-3 nitroreductase. Antioxid Redox Signal. 2001 Oct;3(5):747-55.
5	The quinone-binding site of Acidithiobacillus ferrooxidans sulfide: quinone oxidoreductase controls both sulfide oxidation and quinone reduction. Biochem Cell Biol. 2016 Apr;94(2):159-66.