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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL492491
CHEMBL492491
Compound Name FENVALERATE
ChEMBL Synonyms FENVALERATE
Max Phase 0
Trade Names
Molecular Formula C25H22ClNO3

Additional synonyms for CHEMBL492491 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3
Standard InChI InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(2 ...
Download InChI
Standard InChI Key NYPJDWWKZLNGGM-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL492491

Molecule Features

CHEMBL492491 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N 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 FENVALERATE
The Cochrane Collaboration FENVALERATE

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 CHEMBL492491. 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
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.986

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.984
CHEMBL3338 Squalene synthetase Homo sapiens 0.232

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
419.9 419.1288 6.56 8 59.32 -


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
- - 6.55 6.55 3 30 0.39

Structural Alerts

There are 2 structural alerts for CHEMBL492491. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A26 - FENVALERATE
ChemSpider ChemSpider:NYPJDWWKZLNGGM-UHFFFAOYSA-N
PubChem SID: 144209036 SID: 144213274 SID: 26756892
Wikipedia Fenvalerate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL492491



ACToR 67614-33-9 66267-77-4 131641-62-8 51630-58-1 67614-32-8
Brenda 11651 133010 133019 133020 160308 160310 133008 133021 160311
ChEBI 5014
eMolecules 1934433
EPA CompTox Dashboard DTXSID3020621
Human Metabolome Database HMDB31791
IBM Patent System 27502C9F9A775C7304DAE1B698B1045A
KEGG Ligand C10988
MolPort MolPort-006-149-602
Nikkaji J3.515G
PubChem 3347
PubChem: Thomson Pharma 15378252
SureChEMBL SCHEMBL26911

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