Details of the Drug

General Information of Drug (ID: DMFSWGH)

Drug Name
Econazole
Synonyms
Ecostatin; Palavale; Pevaryl; Ecostatin Vaginal Ovules; Ecostatin cream; Spectazole cream; SQ 13050; Ecostatin (TN); Gyno-Pevaryl 150; Gyno-pevaryl; Pevaryl (TN); Spectazole (TN); Econazole (USAN/INN); 1-[2,4-Dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]imidazole; 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
Indication
Disease Entry ICD 11 Status REF
Cutaneous candidiasis 1F23.14 Approved [1]
Tinea corporis 1F28.Y Approved [1]
Tinea cruris 1F28.3 Approved [1]
Tinea pedis 1F28.2 Approved [1]
Tinea versicolor 1F2D.0 Approved [1]
Therapeutic Class
Antifungal Agents
Affected Organisms
Yeast and other fungi
ATC Code
D01AC03: Econazole
D01AC: Imidazole and triazole derivatives
D01A: ANTIFUNGALS FOR TOPICAL USE
D01: ANTIFUNGALS FOR DERMATOLOGICAL USE
D: DERMATOLOGICALS
G01AF05: Econazole
G01AF: Imidazole derivatives
G01A: ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 381.7
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C18H15Cl3N2O
IUPAC Name
1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Canonical SMILES
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O/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/h1-9,12,18H,10-11H2
InChIKey
LEZWWPYKPKIXLL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3198
ChEBI ID
CHEMBL82873
CAS Number
27220-47-9
UNII
6Z1Y2V4A7M
DrugBank ID
DB01127
TTD ID
D0EV8E
VARIDT ID
DR00808
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily A member 3 (KCNA3) OTXSP3AA KCNA3_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 Differential azole antifungal efficacies contrasted using a Saccharomyces cerevisiae strain humanized for sterol 14 alpha-demethylase at the homolo... Antimicrob Agents Chemother. 2008 Oct;52(10):3597-603.
3 Identification of quaternary ammonium compounds as potent inhibitors of hERG potassium channels. Toxicol Appl Pharmacol. 2011 May 1;252(3):250-8. doi: 10.1016/j.taap.2011.02.016. Epub 2011 Feb 26.