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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL373204
CHEMBL373204
Compound Name ALPHA-CYPERMETHRIN
ChEMBL Synonyms CYPERMETHRIN | ALPHA-CYPERMETHRIN
Max Phase 0
Trade Names
Molecular Formula C22H19Cl2NO3

Additional synonyms for CHEMBL373204 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)c2cccc(Oc3ccccc3)c2
Standard InChI InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28- ...
Download InChI
Standard InChI Key KAATUXNTWXVJKI-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


CHEMBL373204

Molecule Features

CHEMBL373204 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 ALPHA-CYPERMETHRIN
The Cochrane Collaboration ALPHA-CYPERMETHRIN

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 CHEMBL373204. 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) 0.851

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.777

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
416.3 415.0742 5.3 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
- - 6.41 6.41 2 28 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL373204. 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
P03BA02 - cypermethrin

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A15 - CYPERMETHRIN
ChemSpider ChemSpider:KAATUXNTWXVJKI-UHFFFAOYSA-N
PubChem SID: 124892259 SID: 144207128 SID: 144211209 SID: 170466657 SID: 26754615 SID: 26754616 SID: 26756819
Wikipedia Cypermethrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373204



ACToR 137497-61-1 52315-07-8
Brenda 166769 61166 4133 35394
ChEBI 4042
DrugCentral 4409
eMolecules 1934429
EPA CompTox Dashboard DTXSID1023998
IBM Patent System 0719DC552D187D1F8ABADF1EA874313B
KEGG Ligand C10984
Mcule MCULE-6598717797
MolPort MolPort-003-846-106
Nikkaji J9.674A
PubChem 2912
PubChem: Thomson Pharma 14806709
SureChEMBL SCHEMBL21972

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