General Information of Drug (ID: DM0AEPG)

Drug Name
Triacetin
Synonyms
triacetin; 102-76-1; Glyceryl triacetate; Glycerol triacetate; Enzactin; Glycerin triacetate; Triacetine; Triacetylglycerol; Fungacetin; Glyped; Triacetyl glycerine; Vanay; Kesscoflex TRA; Kodaflex triacetin; 1,2,3-Propanetriol, triacetate; Acetin, tri-; Triacetinum; Triacetina; 1,2,3-triacetoxypropane; 1,2,3-Propanetriol triacetate; propane-1,2,3-triyl triacetate; Triacetyl glycerin; Triacetyl glycerol; 1,2,3-Propanetriyl triacetate; Triacetin [INN]; 1,2,3-Triacetylglycerol; 1,2,3-Propanetriol, 1,2,3-triacetate; FEMA Number 2007
Indication
Disease Entry ICD 11 Status REF
Onychomycosis EE12.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 218.2
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H14O6
IUPAC Name
2,3-diacetyloxypropyl acetate
Canonical SMILES
CC(=O)OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey
URAYPUMNDPQOKB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5541
ChEBI ID
CHEBI:9661
CAS Number
102-76-1
DrugBank ID
DB16005
TTD ID
D0Q6DX
INTEDE ID
DR1925

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Carboxyl ester lipase (CEL)
Main DME
DEQU4N2 CEL_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
DNA damage-inducible transcript 3 protein (DDIT3) OTI8YKKE DDIT3_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 Lipoamidase activity in normal and mutagenized pancreatic cholesterol esterase (bile salt-stimulated lipase). Biochem J. 1993 Apr 1;291 ( Pt 1):65-9.
3 Induction of CCAAT/enhancer-binding protein-homologous protein by cigarette smoke through the superoxide anion-triggered PERK-eIF2 pathway. Toxicology. 2011 Sep 5;287(1-3):105-12. doi: 10.1016/j.tox.2011.06.005. Epub 2011 Jun 15.