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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362919
CHEMBL362919
Compound Name METHOXYCHLOR
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15Cl3O2

Additional synonyms for CHEMBL362919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
Standard InChI InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)1 ...
Download InChI
Standard InChI Key IAKOZHOLGAGEJT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL362919

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
345.7 344.0138 4.97 5 18.46 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.07 5.07 2 21 0.71

Structural Alerts

There are 2 structural alerts for CHEMBL362919. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33B - DDT, METHOXYCHLOR
A33B2 - METHOXYCHLOR
ChemSpider ChemSpider:IAKOZHOLGAGEJT-UHFFFAOYSA-N
PubChem SID: 144214036 SID: 17388924 SID: 17389833 SID: 26747247 SID: 26752789 SID: 49731958
Wikipedia Methoxychlor

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362919



ACToR 72-43-5
BindingDB 50410535
Brenda 95543 32286
ChEBI 6842
eMolecules 500907
EPA CompTox Dashboard DTXSID9020827
FDA SRS RIA79UD69L
IBM Patent System 9A82CD3FB8752B9E00831891D5DDC6B0 A4B678FCAF0F0A2B76398794F10AF3FF
KEGG Ligand C11043
LINCS LSM-37160
Mcule MCULE-1125841404
MolPort MolPort-003-665-467
Nikkaji J2.377I
NMRShiftDB 30097372
PubChem 4115
PubChem: Thomson Pharma 14827469
SureChEMBL SCHEMBL116390
ZINC ZINC000000155246

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