Details of the Drug

General Information of Drug (ID: DM1LDIP)

Drug Name
EcoNail
Synonyms Econazole/SEPA
Indication
Disease Entry ICD 11 Status REF
Fungal infection 1F29-1F2F Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 444.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C18H16Cl3N3O4
IUPAC Name
1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Canonical SMILES
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI
InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey
DDXORDQKGIZAME-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68589
ChEBI ID
CHEMBL1201049
CAS Number
24169-02-6
TTD ID
D0J1CL
ACDINA ID
D01028
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Cytochrome P450 51 (Candi ERG11) TTTSOUD CP51_CANAL Inhibitor [2]
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
Benzoic acid E00009 243 Antimicrobial preservative
Stearic acid E00079 5281 Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Trolamine E00151 7618 Alkalizing agent; Emulsifying agent
Butylhydroxyanisole E00308 24667 Antimicrobial preservative; Antioxidant
Glycerin E00026 753 Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Polysorbate 20 E00664 Not Available Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Water E00035 962 Solvent
Butane E00155 7843 Aerosol propellant
Dimethicone 350 E00706 Not Available Antifoaming agent; Emollient; Water-repelling agent
⏷ Show the Full List of 11 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Econazole Nitrate 1% aerosol 1% Aerosol Topical
Econazole Nitrate 1% cream 1% Cream Topical
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 ClinicalTrials.gov (NCT00385502) A Trial of the Safety and Efficacy of EcoNail in the Treatment of Fungus Infections of the Great Toenail. U.S. National Institutes of Health.
2 Azole binding properties of Candida albicans sterol 14-alpha demethylase (CaCYP51). Antimicrob Agents Chemother. 2010 Oct;54(10):4235-45.