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]
Affected Organisms
Dermatophytic fungi including Trichophyton, Microsporum and EpidermophytonYeast and other Trichophyton or Microsporum fungi
ATC Code
D01AE24: Tavaborole
D01AE: Other antifungals for topical use
D01A: ANTIFUNGALS FOR TOPICAL USE
D01: ANTIFUNGALS FOR DERMATOLOGICAL USE
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 151.93
Logarithm of the Partition Coefficient 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
CHEMBL443052
CAS Number
174671-46-6
UNII
K124A4EUQ3
DrugBank ID
DB09041
TTD ID
D05VGL
ACDINA ID
D01462
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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
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.