Details of the Drug

General Information of Drug (ID: DM3ED1A)

Drug Name

Tavaborole

Synonyms

Kerydin; AN2690; AN-2690; AN-2690); SCH-900340; Topical antifungal (onychomycosis), Merck & Co; Trichophyton-targeting antifungal (onychomycosis), Merck & Co; Fungal leucyl-tRNA synthetase inhibitor (onychomycosis), Anacor Pharmaceuticals/Schering-Plough; Fungal leucyl-tRNA synthetase inhibitor (onychomycosis), Merck & Co/Anacor; Trichophyton-targeting antifungal (onychomycosis), Anacor Pharmaceuticals/Schering-Plough

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

151.93

Topological Polar Surface Area

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 28.5 hours [2]

Chemical Identifiers

Formula: C7H6BFO2
IUPAC Name: 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole
Canonical SMILES: B1(C2=C(CO1)C=C(C=C2)F)O
InChI: InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey: LFQDNHWZDQTITF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11499245
ChEBI ID: CHEBI:77942
CAS Number: 174671-46-6
DrugBank ID: DB09041
TTD ID: D05VGL
ACDINA ID: D01462

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Leucyl-tRNA synthetase (Stap-coc leuS)	TT37GL6	SYL_STAAE	Inhibitor	[3], [1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Edetate calcium disodium	E00487	6093170	Complexing agent
Ethanol	E00023	702	Antimicrobial preservative; Penetration agent; Solvent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Tavaborole 5% solution	5%	Solution	Topical

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	An antifungal agent inhibits an aminoacyl-tRNA synthetase by trapping tRNA in the editing site. Science. 2007 Jun 22;316(5832):1759-61.
4	Bacterial resistance to leucyl-tRNA synthetase inhibitor GSK2251052 develops during treatment of complicated urinary tract infections. Antimicrob Agents Chemother. 2015 Jan;59(1):289-98.
5	Metalloid compounds as drugs. Res Pharm Sci. 2013 Jul-Sep; 8(3): 145-158.