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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1651990
CHEMBL1651990
Compound Name FENTICONAZOLE
ChEMBL Synonyms REC 15/1476 | FENTICONAZOLE | FENTICONAZOLE NITRATE | GYNOXIN | LOMEXIN
Max Phase 4 (Approved)
Trade Names LOMEXIN | GYNOXIN
Molecular Formula C24H20Cl2N2OS

Additional synonyms for CHEMBL1651990 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(C(Cn2ccnc2)OCc3ccc(Sc4ccccc4)cc3)c(Cl)c1
Standard InChI InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-1 ...
Download InChI
Standard InChI Key ZCJYUTQZBAIHBS-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1651990

Molecule Features

CHEMBL1651990 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:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov FENTICONAZOLE
The Cochrane Collaboration FENTICONAZOLE

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 CHEMBL1651990. 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
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 1.000
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.999
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.996
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.991
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.989
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.978
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.682



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5035 Heme oxygenase 1 Rattus norvegicus 1.000
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.986
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.980
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.959
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.928
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.927
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.826
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.796
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.423
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.366
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.254

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
455.4 454.0673 7.3 8 27.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.68 4.73 4.65 4 30 0.28

Structural Alerts

There are no structural alerts for CHEMBL1651990

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AC - Imidazole and triazole derivatives
D01AC12 - fenticonazole

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AF - Imidazole derivatives
G01AF12 - fenticonazole

ChemSpider ChemSpider:ZCJYUTQZBAIHBS-UHFFFAOYSA-N
PubChem SID: 170466486

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1651990



ACToR 72479-26-6
ChEBI 83602
DrugCentral 1166
EPA CompTox Dashboard DTXSID7057812
IBM Patent System AA8B34EBE02463A29364CF0C4739F893
LINCS LSM-45431
MolPort MolPort-005-935-547
Nikkaji J11.264J
PubChem 51755
PubChem: Thomson Pharma 15478480
SureChEMBL SCHEMBL147157

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