Details of the Drug

General Information of Drug (ID: DM4SJ5Y)

Drug Name

Acetic Acid, Glacial

Synonyms

ethanoic acid; 64-19-7; Ethylic acid; Acetic acid glacial; Acetic acid, glacial; Methanecarboxylic acid; Glacial acetic acid; Vinegar acid; Acetasol; Acide acetique; Essigsaeure; Aci-jel; Azijnzuur; Vinegar; Kyselina octova; Acido acetico; Octowy kwas; Pyroligneous acid; HOAc; Azijnzuur [Dutch]; Ethanoic acid monomer; acetyl alcohol; Aceticum acidum; Essigsaeure [German]; ethoic acid; Caswell No 003; Otic Tridesilon; Octowy kwas [Polish]; Otic Domeboro; Acetic acid (natural); Kyselina octova [Czech]; Acide acetique [French]; Orlex; Vosol; Acetic Acid 025% In Plastic Container

Indication

Disease Entry	ICD 11	Status	REF
infection in the ear canal	AA0Y	Approved	[1]

Therapeutic Class

Antiinfective Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

60.05

Topological Polar Surface Area (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C2H4O2
IUPAC Name: acetic acid
Canonical SMILES: CC(=O)O
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 176
ChEBI ID: CHEBI:15366
CAS Number: 64-19-7
DrugBank ID: DB03166
TTD ID: D0F1LZ
INTEDE ID: DR0038

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2E1 (CYP2E1)_{Main DME}	DEVDYN7	CP2E1_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Kinetics of cytochrome P450 2E1-catalyzed oxidation of ethanol to acetic acid via acetaldehyde. J Biol Chem. 1999 Aug 20;274(34):23833-40.
3	Chronic ethanol feeding and folate deficiency activate hepatic endoplasmic reticulum stress pathway in micropigs. Am J Physiol Gastrointest Liver Physiol. 2005 Jul;289(1):G54-63.
4	Cytochrome P450 2E1 null mice provide novel protection against cisplatin-induced nephrotoxicity and apoptosis. Kidney Int. 2003 May;63(5):1687-96.
5	Genotoxicity of tamoxifen, tamoxifen epoxide and toremifene in human lymphoblastoid cells containing human cytochrome P450s. Carcinogenesis. 1994 Jan;15(1):5-9.
6	Acetaminophen induced acute liver failure via oxidative stress and JNK activation: protective role of taurine by the suppression of cytochrome P450 2E1. Free Radic Res. 2010 Mar;44(3):340-55.
7	A study on the metabolism of etoposide and possible interactions with antitumor or supporting agents by human liver microsomes. J Pharmacol Exp Ther. 1998 Sep;286(3):1294-300.
8	The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
9	Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
10	Novel metabolic pathway of estrone and 17beta-estradiol catalyzed by cytochrome P-450. Drug Metab Dispos. 2000 Feb;28(2):110-2.
11	Inhibition of cytochrome P450 2E1 by propofol in human and porcine liver microsomes. Biochem Pharmacol. 2002 Oct 1;64(7):1151-6.
12	CYP2E1 and clinical features in alcoholics. Neuropsychobiology. 2003;47(2):86-9.