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
Affected Organisms
Bacteria
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 60.05
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL539
CAS Number
64-19-7
UNII
Q40Q9N063P
DrugBank ID
DB03166
TTD ID
D0F1LZ
INTEDE ID
DR0038
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Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) OT25JBA3 F263_HUMAN Gene/Protein Processing [3]
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4) OTQYEXL2 F264_HUMAN Gene/Protein Processing [3]
60 kDa heat shock protein, mitochondrial (HSPD1) OTTO1Y11 CH60_HUMAN Gene/Protein Processing [3]
7-dehydrocholesterol reductase (DHCR7) OTLILBUI DHCR7_HUMAN Gene/Protein Processing [3]
Activator of apoptosis harakiri (HRK) OTR4GWJ0 HRK_HUMAN Gene/Protein Processing [3]
Alanine aminotransferase 2 (GPT2) OTS5VF7N ALAT2_HUMAN Gene/Protein Processing [3]
Alpha-enolase (ENO1) OTB1KWJS ENOA_HUMAN Gene/Protein Processing [3]
Amino acid transporter heavy chain SLC3A2 (SLC3A2) OTBR33M9 4F2_HUMAN Gene/Protein Processing [3]
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [3]
BAG family molecular chaperone regulator 3 (BAG3) OTVXYUDQ BAG3_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) 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 Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.