Details of the Drug

General Information of Drug (ID: DM8SY60)

Drug Name

Butoconazole

Synonyms

Butaconazole; Butoconazol; Butoconazolum; Femstat; Gynofort; Duplicate RN for parent cpd; RS 35887; Butoconazol [INN-Spanish]; Butoconazole (INN); Butoconazole [INN:BAN]; Butoconazolum [INN-Latin]; Gynofort (TN); RS 35887-10-3; (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; (+/-)-1-[4-(p-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole; (-)-1-((4-(p-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)imidazole; 1-(4-(4-Chlorophenyl)-2-(2,6-dichlorophenylthio)-n-butyl)-1H-imidazole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole; 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole; 1H-Imidazole; 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, nitrate

Indication

Disease Entry	ICD 11	Status	REF
Candidiasis	1F23	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)

411.8

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C19H17Cl3N2S
IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
Canonical SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl
InChI: InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
InChIKey: SWLMUYACZKCSHZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 47472
ChEBI ID: CHEBI:3240
CAS Number: 64872-76-0
DrugBank ID: DB00639
TTD ID: D0N3SP

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

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020421.
2	Effects of terconazole and other azole antifungal agents on the sterol and carbohydrate composition of Candida albicans. Diagn Microbiol Infect Dis. 1990 Jan-Feb;13(1):31-5.