ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356918
CHEMBL356918
Compound Name ENILCONAZOLE
ChEMBL Synonyms R 23,979 | ENILCONAZOLE
Max Phase 0
Trade Names
Molecular Formula C14H14Cl2N2O

Additional synonyms for CHEMBL356918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
Standard InChI InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3- ...
Download InChI
Standard InChI Key PZBPKYOVPCNPJY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL356918

Molecule Features

CHEMBL356918 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ENILCONAZOLE
The Cochrane Collaboration ENILCONAZOLE

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 CHEMBL356918. 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
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 1.000
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 1.000
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.999
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.999
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.997
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.996
CHEMBL4521 Cytochrome P450 24A1 Homo sapiens 0.918
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.914



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL5035 Heme oxygenase 1 Rattus norvegicus 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.982
CHEMBL5192 Botulinum neurotoxin type A Clostridium botulinum 0.954
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.933
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.901
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.901
CHEMBL4521 Cytochrome P450 24A1 Homo sapiens 0.755
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.698
CHEMBL4508 Glutaminyl-peptide cyclotransferase Homo sapiens 0.665
CHEMBL4685 Indoleamine 2,3-dioxygenase Homo sapiens 0.657
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.268
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.242
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.219

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
297.2 296.0483 3.35 6 27.05 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.74 3.56 3.47 2 19 0.77

Structural Alerts

There are 3 structural alerts for CHEMBL356918. To view alerts please click here.

Compound Cross References

FRAC G - STEROL BIOSYNTHESIS IN MEMBRANES
G1 - C14-DEMETHYLASE IN STEROL BIOSYNTHESIS (ERG11/CYP51)
G13 - DMI-FUNGICIDES (DEMETHYLATION INHIBITORS) (SBI: CLASS I)
G13D - IMIDAZOLES
G13D1 - IMAZALIL
ChemSpider ChemSpider:PZBPKYOVPCNPJY-UHFFFAOYSA-N
PubChem SID: 144208749 SID: 144211037 SID: 26757180 SID: 56463142
Wikipedia Enilconazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356918



ACToR 35554-44-0
Brenda 16936
ChEBI 83829
DrugCentral 3177
eMolecules 2729261
EPA CompTox Dashboard DTXSID8024151
Human Metabolome Database HMDB0031794
IBM Patent System E56167CA59B8294A1B5F030036A4D749
KEGG Ligand C18739
LINCS LSM-4333
Mcule MCULE-1892353746
MolPort MolPort-003-712-011
Nikkaji J21.235K
NMRShiftDB 20209830
PubChem 37175
PubChem: Drugs of the Future 12013787
PubChem: Thomson Pharma 15097231
SureChEMBL SCHEMBL22498

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