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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356918
CHEMBL356918
Compound Name ENILCONAZOLE
ChEMBL Synonyms R-23979 | 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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL356918

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
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.999
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.999
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.997
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.995
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.990
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.712



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
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 0.997
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.981
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.973
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.927
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.905
CHEMBL4508 Glutaminyl-peptide cyclotransferase Homo sapiens 0.869
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.867
CHEMBL5192 Botulinum neurotoxin type A Clostridium botulinum 0.706
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.627
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.514
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 0.312

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

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
ChEBI 83829
eMolecules 2729261
Human Metabolome Database HMDB31794
IBM Patent System E56167CA59B8294A1B5F030036A4D749
IBM Patents US6129927 US4277475 WO1999020271A1 US5214046 WO2000048636A1 US4164582 US4160029 US4904683 WO1999051089A1 EP0856344A1 US4247552 EP0165783A1 WO1993007847A1 US4764527 US4766140
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
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