Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2205)
Drug Name
Quinone
Synonyms
Benzo-1,4-quinone; Benzo-chinon; Benzo-chinon [German]; Benzoquinone; Chinon; Chinone; Cyclohexadienedione; Quinone; RCRA waste number U197; Semiquinone anion; Steara pbq; USAF P-220; cyclohexa-2,5-diene-1,4-dione; p-Chinon; p-Chinon [German]; p-Quinone; p-benzoquinone; para-Benzoquinone; para-Quinone; semiquinone radicals; 1,4-BENZOQUINONE; 1,4-Benzoquine; 1,4-Cyclohexadiene dioxide; 1,4-Cyclohexadienedione; 1,4-Diossibenzene; 1,4-Dioxy-benzol; 1,4-Dioxybenzene; 106-51-4; 2,5-Cyclohexadiene-1,4-dione; Caswell No. 719C; NCI-C55845
Indication Prostate cancer [ICD11: 2C82] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 108.09 Topological Polar Surface Area 34.1
Heavy Atom Count 8 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
4650
PubChem SID
3755 ; 93045 ; 588828 ; 596037 ; 3132090 ; 5350273 ; 8143530 ; 8152856 ; 10503286 ; 11110830 ; 14709502 ; 15321165 ; 17390020 ; 17404683 ; 24847521 ; 24891552 ; 29223739 ; 38270127 ; 47662429 ; 48413275 ; 48421719 ; 48422735 ; 48425556 ; 49846588 ; 49854611 ; 50105510 ; 50105511 ; 53777226 ; 53787812 ; 57322374 ; 57390928 ; 57551963 ; 57653913 ; 58035064 ; 79192896 ; 80953851 ; 85084076 ; 85230932 ; 85272565 ; 87563289 ; 87563860 ; 88803592 ; 90340661 ; 92303652 ; 93617035 ; 103167124 ; 104307024 ; 104668388 ; 117689055 ; 118052878
ChEBI ID
CHEBI:16509
CAS Number
106-51-4
TTD Drug ID
D0M2EM
Formula
C6H4O2
Canonical SMILES
C1=CC(=O)C=CC1=O
InChI
1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey
AZQWKYJCGOJGHM-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Nitroreductase (NTR) DME1247 Enterobacter cloacae
NFSB_ENTCL
1.5.1.39
[2]
Retro-nitroreductase (rNR) DME1584 Enterobacter cloacae
A0A0H3CM55_ENTCC
1.5.1.34
[3]
Sulfide-quinone reductase (SQR) DME1797 Acidithiobacillus ferrooxidans
SQRD_ACIF2
1.8.5.4
[4]
References
1 Drug targeting in anticancer chemotherapy. Medicinal Chemistry of Anticancer Drugs. 2008;351-385.
2 Overexpression, isotopic labeling, and spectral characterization of Enterobacter cloacae nitroreductase. Protein Expr Purif. 1998 Jun;13(1):53-60.
3 Retro-nitroreductase, a putative evolutionary precursor to Enterobacter cloacae strain 96-3 nitroreductase. Antioxid Redox Signal. 2001 Oct;3(5):747-55.
4 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.