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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104608
CHEMBL2104608
Compound Name CYFLUTHRIN
ChEMBL Synonyms BAY VL 1704 | CYFLUTHRIN
Max Phase 0
Trade Names
Molecular Formula C22H18Cl2FNO3

Additional synonyms for CHEMBL2104608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2
Standard InChI InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29 ...
Download InChI
Standard InChI Key QQODLKZGRKWIFG-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104608

Molecule Features

CHEMBL2104608 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 CYFLUTHRIN
The Cochrane Collaboration CYFLUTHRIN

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 CHEMBL2104608. 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) 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
434.3 433.0648 5.51 7 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
- - 6.42 6.42 2 29 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL2104608. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P03 - ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03B - INSECTICIDES AND REPELLENTS
P03BA - Pyrethrines
P03BA01 - cyfluthrin

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A10 - CYFLUTHRIN
ChemSpider ChemSpider:QQODLKZGRKWIFG-UHFFFAOYSA-N
PubChem SID: 144210962

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104608



ACToR 83855-46-3 68359-37-5
ChEBI 4034
DrugCentral 4407
eMolecules 509679
EPA CompTox Dashboard DTXSID5035957
IBM Patent System 0796E7CA27760D18D6B54935D9BCAAB3
KEGG Ligand C10982
MolPort MolPort-003-933-607
Nikkaji J18.756I
PubChem 104926
PubChem: Thomson Pharma 15379078
SureChEMBL SCHEMBL26024

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