Details of the Drug

General Information of Drug (ID: DMNYPGS)

Drug Name

Tioconazole

Synonyms

Fungibacid; GyneCure; Tioconazol; Tioconazolum; Trosyd; Trosyl; Vagistat; Zoniden; Trosyd AF; Trosyd J; Monistat 1; UK 20349; Gyno-trosyd; Tioconazol [INN-Spanish]; Tioconazolum [INN-Latin]; Tz-3; UK 20,349; UK-20349; Vagistat-1; Vagistat-1 (TN); Tioconazole (JAN/USP/INN); Tioconazole [USAN:BAN:INN:JAN]; (+-)-1-(2,4-Dichloro-beta-((2-chloro-3-ethenyl)oxy)phenethyl)imidazole; (+-)-1-[2-[(2-Chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-(2,4-Dichloro-(beta-(2-chloro-3-thenyl)oxy)phenethyl)imidazole; 1-(2,4-Dichloro-beta-((2-chloro-3-thenyl)-oxy)phenethyl)imidazole; 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Indication

Disease Entry	ICD 11	Status	REF
Onychomycosis	EE12.1	Approved	[1]
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Therapeutic Class

Antifungal Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

387.7

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13Cl3N2OS
IUPAC Name: 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
InChI: InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKey: QXHHHPZILQDDPS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5482
ChEBI ID: CHEBI:77898
CAS Number: 65899-73-2
DrugBank ID: DB01007
TTD ID: D0CA6J
ACDINA ID: D01488

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]

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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
Butylhydroxyanisole	E00308	24667	Antimicrobial preservative; Antioxidant
Magnesium aluminum silicate	E00462	3084116	Adsorbent; Binding agent; Disintegrant; Suspending agent; Viscosity-controlling agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Tioconazole 6.5% ointment	6.50%	Ointment	Vaginal

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References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 075915.
2	Biological spectra analysis: Linking biological activity profiles to molecular structure. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):261-6.