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
CHEBI:15366
CAS Number
64-19-7
UNII
Q40Q9N063P
DrugBank ID
DB03166
TTD ID
D0F1LZ
INTEDE ID
DR0038
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.