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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1262
CHEMBL1262
Compound Name OXICONAZOLE
ChEMBL Synonyms Oxistat | Oceral | Oxizole | SGD 301-76 | ST-813 | RO 13-8996 | OXICONAZOLE NITRATE | OXICONAZOLE | SGD-301-76 | OXISTAT
Max Phase 4 (Approved)
Trade Names Oceral | OXICONAZOLE NITRATE | OXISTAT
Molecular Formula C18H13Cl4N3O

Additional synonyms for CHEMBL1262 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CO\N=C(/Cn2ccnc2)\c3ccc(Cl)cc3Cl)c(Cl)c1
Standard InChI InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9 ...
Download InChI
Standard InChI Key QRJJEGAJXVEBNE-HKOYGPOVSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1262

Molecule Features

CHEMBL1262 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cytochrome P450 51 inhibitor Cytochrome P450 51 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Tinea PedisD014008EFO:0007512tinea pedis1ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov OXICONAZOLE
The Cochrane Collaboration OXICONAZOLE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1262. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.999
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.993
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.971
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.640
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.537
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.210



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 1.000
CHEMBL5035 Heme oxygenase 1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.957
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.859
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.780
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.596
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.376
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.308
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.250

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
429.1 426.9813 6.12 6 39.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.14 6.2 6.18 3 26 0.35

Structural Alerts

There are 8 structural alerts for CHEMBL1262. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AF - Imidazole derivatives
G01AF17 - oxiconazole

D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AC - Imidazole and triazole derivatives
D01AC11 - oxiconazole

ChemSpider ChemSpider:QRJJEGAJXVEBNE-HKOYGPOVSA-N
DailyMed oxiconazole nitrate
Wikipedia Oxiconazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1262



ACToR 64211-45-6
BindingDB 50051844
ChEBI 7825
DrugBank DB00239
DrugCentral 3408
eMolecules 902250
EPA CompTox Dashboard DTXSID8040690
FDA SRS C668Q9I33J
KEGG Ligand C08074
Nikkaji J19.579K
PubChem 5353853
PubChem: Thomson Pharma 14807454
SureChEMBL SCHEMBL4540297
ZINC ZINC000003873295

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/QRJJEGAJXVEBNE-HKOYGPOVSA-N spacer
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