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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1879822
CHEMBL1879822
Compound Name RESMETHRIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26O3

Additional synonyms for CHEMBL1879822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C
Standard InChI InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17- ...
Download InChI
Standard InChI Key VEMKTZHHVJILDY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1879822

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
338.5 338.1882 5.15 6 39.44 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.35 6.35 2 25 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL1879822. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A37 - RESMETHRIN
ChemSpider ChemSpider:VEMKTZHHVJILDY-UHFFFAOYSA-N
PubChem SID: 144209336 SID: 144211237 SID: 26757190 SID: 50111533

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1879822



ACToR 10453-86-8
ChEBI 8811
eMolecules 510191
EPA CompTox Dashboard DTXSID7022253
IBM Patent System B2D1D7228F44FFB45AEEF2DB31EDE9BA
KEGG Ligand C10991
LINCS LSM-1846
Mcule MCULE-6501647763
MolPort MolPort-003-933-491
Nikkaji J3.119D
NMRShiftDB 20208397
PubChem 5053
SureChEMBL SCHEMBL27565

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