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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1221
CHEMBL1221
Compound Name SULCONAZOLE
ChEMBL Synonyms Exelderm | RS-44872-00-1O-3 | SULCONAZOLE | RS-44872-00-10-3 | SULCONAZOLE NITRATE | RS-44872 | EXELDERM
Max Phase 4 (Approved)
Trade Names EXELDERM
Molecular Formula C18H15Cl3N2S

Additional synonyms for CHEMBL1221 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
Standard InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8- ...
Download InChI
Standard InChI Key AFNXATANNDIXLG-UHFFFAOYSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1221

Molecule Features

CHEMBL1221 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture 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 KEGG

Clinical Data

ClinicalTrials.gov SULCONAZOLE
The Cochrane Collaboration SULCONAZOLE

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 CHEMBL1221. 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 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.944
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.869
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.851
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.688
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.432



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5035 Heme oxygenase 1 Rattus norvegicus 1.000
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.986
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.928
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.672
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.427
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
397.8 396.0022 6.52 6 17.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.55 4.36 4.31 3 24 0.47

Structural Alerts

There are no structural alerts for CHEMBL1221

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AC - Imidazole and triazole derivatives
D01AC09 - sulconazole

ChemSpider ChemSpider:AFNXATANNDIXLG-UHFFFAOYSA-N
DailyMed sulconazole nitrate
Wikipedia Sulconazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1221



ACToR 61318-90-9
BindingDB 31770
Brenda 88189
ChEBI 77776
DrugBank DB06820
eMolecules 1989092
EPA CompTox Dashboard DTXSID8044129
IBM Patent System 7552C66F331C5FA1B26887AAD3246D36
KEGG Ligand C08076
LINCS LSM-1751
Nikkaji J1.095.036H
PubChem 5318
PubChem: Thomson Pharma 14830345
SureChEMBL SCHEMBL34761

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