ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1872535
CHEMBL1872535
Compound Name Allethrin
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H26O3

Additional synonyms for CHEMBL1872535 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C
Standard InChI InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17- ...
Download InChI
Standard InChI Key ZCVAOQKBXKSDMS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1872535

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
302.4 302.1882 4.04 6 43.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.62 4.62 0 22 0.55

Structural Alerts

There are 6 structural alerts for CHEMBL1872535. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A2 - ALLETHRIN
ChemSpider ChemSpider:ZCVAOQKBXKSDMS-UHFFFAOYSA-N
PubChem SID: 144214035 SID: 26757370 SID: 26757890

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1872535



ACToR 584-79-2 207562-36-5 34624-48-1 22431-63-6 137-98-4
ChEBI 34572
eMolecules 979222
EPA CompTox Dashboard DTXSID8035180
IBM Patent System AB7AD8A96D7CDF66F6AF6DB63CCD74B8
KEGG Ligand C14337
MolPort MolPort-001-785-571
Nikkaji J445F
PubChem 11442
PubChem: Thomson Pharma 15271612
SureChEMBL SCHEMBL26963

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