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

General Information of Drug (ID: DR0038)
Drug Name
INS-260
Synonyms
Acetasol; Aceticum acidum; Aci-jel; Acide acetique; Acide acetique [French]; Acido acetico; Azijnzuur; Azijnzuur [Dutch]; Essigsaeure; Essigsaeure [German]; Ethanoic acid monomer; Ethylic acid; Glacial acetic acid; Kyselina octova; Kyselina octova [Czech]; Methanecarboxylic acid; Octowy kwas; Octowy kwas [Polish]; Otic Domeboro; Otic Tridesilon; Pyroligneous acid; Vinegar; Vinegar acid; acetyl alcohol; ethanoic acid; ethoic acid; 64-19-7; Acetic acid (natural); Acetic acid glacial; Acetic acid, glacial; Caswell No. 003; HOAc; acetic acid
Indication Colorectal cancer [ICD11: 2B91] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 60.05 Topological Polar Surface Area 37.3
Heavy Atom Count 4 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
176
ChEBI ID
CHEBI:15366
CAS Number
64-19-7
TTD Drug ID
D0F1LZ
Formula
C2H4O2
Canonical SMILES
CC(=O)O
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey
QTBSBXVTEAMEQO-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
Formic acid DM000198
284
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006016 INS-260 Formic acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT02231385) Acetic Acid Colonoscopy Enhancement Study.
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 pubchem:INS-260

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