Details of the Drug

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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]

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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]

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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	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.