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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1593566
CHEMBL1593566
Compound Name DELTAMETHRIN
ChEMBL Synonyms DECAMETHRIN | DELTAMETHRIN
Max Phase 4 (Approved)
Trade Names
Molecular Formula C22H19Br2NO3

Additional synonyms for CHEMBL1593566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc ...
Download SMILES
Standard InChI InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28- ...
Download InChI
Standard InChI Key OWZREIFADZCYQD-NSHGMRRFSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1593566

Molecule Features

CHEMBL1593566 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov DELTAMETHRIN
The Cochrane Collaboration DELTAMETHRIN

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 CHEMBL1593566. 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) 0.991
CHEMBL268 Cathepsin K Homo sapiens 0.573
CHEMBL3837 Cathepsin L Homo sapiens 0.238

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2578 Scytalone dehydratase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) 0.984
CHEMBL268 Cathepsin K Homo sapiens 0.531

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
505.2 502.9732 5.52 7 59.32 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 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 28 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL1593566. 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
P03BA03 - decamethrin

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A21 - DELTAMETHRIN
ChemSpider ChemSpider:OWZREIFADZCYQD-NSHGMRRFSA-N
PubChem SID: 144208630 SID: 144213326 SID: 26757319 SID: 29216447
Wikipedia Deltamethrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1593566



ACToR 52918-63-5
Brenda 6241 196832
ChEBI 4388
DrugCentral 4378
eMolecules 509695 36752605
EPA CompTox Dashboard DTXSID8020381
FDA SRS 2JTS8R821G
Human Metabolome Database HMDB0041866
IBM Patent System B9205538F6AF0274A92DCD33ADA5197C
KEGG Ligand C10985
MolPort MolPort-003-846-189
Nikkaji J10.082J
NMRShiftDB 20208531
PubChem 40585
PubChem: Thomson Pharma 16029491 16708569
SureChEMBL SCHEMBL22196
ZINC ZINC000001532094

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