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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

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

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 2 structural alerts for CHEMBL373204. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL373204

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) 0.912
CHEMBL268 Cathepsin K Homo sapiens 0.257

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.874
CHEMBL268 Cathepsin K Homo sapiens 0.225

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

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: 26754615 SID: 26754616 SID: 26756819
Wikipedia Cypermethrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373204



ACToR 137497-61-1 52315-07-8
ChEBI 4042
eMolecules 1934429
IBM Patent System 0719DC552D187D1F8ABADF1EA874313B
IBM Patents US20090163516 EP0805805B1 WO2009002809A2 US20050228027 US20080202259 US20040076670 US6905699 US20030032811 US7442801 US20060147632 US4541963 US20090197768 EP1594878B1 US6191155 US20080182755 US20080227635 EP2261197A1 EP1546144A2 WO2010063986A2 US6746990 US7772281 EP1686851A1 EP2088858A1 US20090137395 EP1201646A1 EP0098561A2 EP0374796B1 US5945113 US20090297871 WO2009071450A1 US6828300 WO2002062144A2 US6045816 US5396730 EP1711474A1 EP1399019A1 WO2005053401A2 EP1131152B1 US20030206965 WO2008031512A1 WO2007066346A3 US20070298970 US20080193387 EP0801896B1 EP1931312A2 US7358214 US20060241098 EP2207421A1 WO2006063848A1 WO2003093223A1 US4379147 WO2007014913A1 EP1210877A1 EP0527037B1 EP0867186B1 US20100210461 EP0369614A1 EP0828734A1 US20080108115 WO2006128870A3 EP1139739B1 WO2008092580A2 US6716874 WO2006094792A1 WO2005035508A2 EP1599547A2 WO2009062905A1 EP1890536A1 US6849744 US5114461 US7064108 US20080108667 WO2004068945A1 US6479489 US20100120619 US20100152194 US20060246151 US20030229139 US5994386 EP2034840A2 EP1952690A2 EP0283173A1 WO1999059967A1 US6090415 EP0214936B1 EP0643040B1 EP2258181A2 US20080176746 US20100190646 EP1164849B1 US20060217447 WO2010094728A1 WO2009077197A1 EP1432308A1 US5922880 EP2031961A2 EP1490370A2 US4963584 WO2006124606A3 US20070270612
KEGG Ligand C10984
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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