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

General Information of Drug (ID: DR0655)
Drug Name
Ethanol
Synonyms
Aethanol; Aethylalkohol; Alcohol, diluted; Alcohol, ethyl; Alcohols; Alcool ethylique; Alcool etilico; Algrain; Alkohol; Anhydrol; Cologne Spirit; Denatured alcohol; Denatured ethanol; Etanolo; Ethanol 200 proof; Ethanol solution; Ethyl hydrate; Ethyl hydroxide; Etylowy alkohol; Fermentation alcohol; Hydroxyethane; Jaysol; Jaysol S; Methylcarbinol; Molasses alcohol; Potato alcohol; Spirits of wine; Tecsol; Tecsol C; alcohol; etanol; ethanol; ethyl alcohol; grain alcohol; 1-Hydroxyethane; 64-17-5; Absolute ethanol; EtOH; absolute alcohol
Indication Diabetic nephropathy [ICD11: GB61] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 46.07 Topological Polar Surface Area 20.2
Heavy Atom Count 3 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
702
PubChem SID
2694 ; 3752 ; 122577 ; 588484 ; 601786 ; 825155 ; 827842 ; 841053 ; 3137603 ; 7344411 ; 7847136 ; 7887325 ; 7887328 ; 7889563 ; 7889631 ; 7979196 ; 8145680 ; 8150751 ; 10531509 ; 14709184 ; 15170309 ; 17389892 ; 24439064 ; 24845303 ; 24845391 ; 24845392 ; 24845393 ; 24845394 ; 24845395 ; 24845396 ; 24845397 ; 24845398 ; 24845399 ; 24845400 ; 24845401 ; 24845402 ; 24845403 ; 24845404 ; 24845405 ; 24845406 ; 24845407 ; 24845408 ; 24851272 ; 24854453 ; 24854455 ; 24854458 ; 24854460 ; 24854502 ; 24854733 ; 24856395
ChEBI ID
ChEBI:16236
CAS Number
64-17-5
TTD Drug ID
D00AMQ
Formula
C2H6O
Canonical SMILES
CCO
InChI
1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Acetaldehyde DM003092
177
Unclear 1 [6]
Acetaldehyde DM003092
177
Unclear 1 [8] , [6]
Acetaldehyde DM003092
177
Oxidation - Oxidationn 1 [6]
EtG DM006861
21845293
Unclear 1 [9]
Unclear DM009999 N. A. Unclear 1 [3]
Unclear DM009999 N. A. Unclear 1 [7]
Acetate DM003441
175
Unclear 2 [6]
Acetic acid DM001682
176
Unclear 2 [6]
Acetic acid DM001682
176
Oxidation - Oxidationn 2 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007449 Ethanol Acetaldehyde Oxidation - Oxidationn CYP2E1 [6]
MR007452 Ethanol EtG Unclear UGT1A9 ... [9]
MR007453 Ethanol Unclear Unclear CYP1A2 [7]
MR007450 Acetaldehyde Acetic acid Oxidation - Oxidationn ALDH [6]
MR007451 Acetaldehyde Acetate Unclear ALDH [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alcohol dehydrogenase (ADH) DME1906 Neisseria sicca
A0A2I1XAT4_NEISI
1.1.1.1
[2]
Alcohol dehydrogenase 1C1 (ADH1C1) DMEN408 Homo sapiens Not Available Not Available [3]
Alcohol dehydrogenase 1C2 (ADH1C2) DMEN409 Homo sapiens Not Available Not Available [3]
Alcohol dehydrogenase class-I alpha (ADH1A) DME0127 Homo sapiens
ADH1A_HUMAN
1.1.1.1
[4]
Alcohol dehydrogenase class-I beta (ADH1B) DME0128 Homo sapiens
ADH1B_HUMAN
1.1.1.105
[4]
Alcohol dehydrogenase class-I gamma (ADH1C) DME0129 Homo sapiens
ADH1G_HUMAN
1.1.1.1
[4]
Alcohol dehydrogenase class-II (ADH4) DME0130 Homo sapiens
ADH4_HUMAN
1.1.1.105
[5]
Alcohol dehydrogenase class-III (ADH5) DME0132 Homo sapiens
ADHX_HUMAN
1.1.1.1
[3]
Alcohol dehydrogenase class-V (ADH6) DME0073 Homo sapiens
ADH6_HUMAN
1.1.1.1
[3]
Aldehyde dehydrogenase (ALDH) DMEN076 . Not Available Not Available [6]
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[3]
Catalase (CAT) DME0090 Homo sapiens
CATA_HUMAN
1.11.1.6
[6]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[7]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[8]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[6]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[7]
Gastric alcohol dehydrogenase (ADH7) DME0131 Homo sapiens
ADH7_HUMAN
1.1.1.105
[3]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[9]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[9]
⏷ Show the Full List of 19  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Alcohol dehydrogenase class-I gamma (ADH1C) DME0129 Km = 0.77 microM
ADH1G_HUMAN
[5]
Alcohol dehydrogenase class-II (ADH4) DME0130 Km = 0.77 microM
ADH4_HUMAN
[5]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Km = 8.03 microM
UD11_HUMAN
[9]
References
1 ClinicalTrials.gov (NCT00563342) Catheters Dysfunction Rate After Instillation of Ethanol 60% Lock Solution in Tunneled Silicone Catheter of Chronic Hemodialysis Patients.
2 Functional profiles of coronal and dentin caries in children. J Oral Microbiol. 2018 Jul 16;10(1):1495976.
3 Functional assessment of human alcohol dehydrogenase family in ethanol metabolism: significance of first-pass metabolism. Alcohol Clin Exp Res. 2006 Jul;30(7):1132-42.
4 Natural alcohol exposure: is ethanol the main substrate for alcohol dehydrogenases in animals? Chem Biol Interact. 2011 May 30;191(1-3):14-25.
5 Oxidation of alcohols and reduction of aldehydes derived from methyl- and dimethylpyrenes by cDNA-expressed human alcohol dehydrogenases. Toxicology. 2008 Mar 12;245(1-2):65-75.
6 Ethanol Metabolism in the Liver, the Induction of Oxidant Stress, and the Antioxidant Defense System
7 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
8 CYP2E1 and clinical features in alcoholics. Neuropsychobiology. 2003;47(2):86-9.
9 Identification and preliminary characterization of UDP-glucuronosyltransferases catalyzing formation of ethyl glucuronide. Anal Bioanal Chem. 2014 Apr;406(9-10):2325-32.

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