Details of the Drug

General Information of Drug (ID: DME7KRM)

Drug Name

Oxiconazole

Synonyms

Oxiconazol; Oxiconazolum; Oxyconazole; Oxiconazol [INN-Spanish]; Oxiconazole (INN); Oxiconazole [INN:BAN]; Oxiconazolum [INN-Latin]; Ro 13-8996; Sgd 301-76; RO-13-8996; (Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-O-(2,4-dichlorobenzyl) ethanone oxime nitrate; 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine; 2',4'-Dichlor-O-(2,4-dichlorbenzyl)-2-(1-imidazolyl)-(Z)-acetophenonoxim; 2',4'-Dichloro-2-imidazol-1-ylacetophenone (Z)-(O-(2,4-dichlorobenzyl)oxime)

Indication

Disease Entry	ICD 11	Status	REF
Tinea corporis	1F28.Y	Approved	[1]
Tinea cruris	1F28.3	Approved	[1]
Tinea pedis	1F28.2	Approved	[2]
Tinea versicolor	1F2D.0	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)

429.1

Logarithm of the Partition Coefficient (xlogp)

6.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The systemic absorption of drug is low []

Chemical Identifiers

Formula: C18H13Cl4N3O
IUPAC Name: (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CO/N=C(\\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
InChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-N

Cross-matching ID

PubChem CID: 5353853
ChEBI ID: CHEBI:7825
CAS Number: 64211-45-6
DrugBank ID: DB00239
TTD ID: D04GYO
INTEDE ID: DR1215

Repurposed Drugs (RPD)

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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	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Mephenytoin 4-hydroxylase (CYP2C19)_{Main DME}	DEGTFWK	CP2CJ_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Oxiconazole FDA Label
2	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 019828.
3	Antifungal agents: mechanisms of action. Trends Microbiol. 2003 Jun;11(6):272-9.
4	In vitro metabolism of oxymetazoline: evidence for bioactivation to a reactive metabolite. Drug Metab Dispos. 2011 Apr;39(4):693-702.