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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

Structural Alerts

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

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

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
ChEBI 6842
eMolecules 500907
FDA SRS RIA79UD69L
IBM Patent System 9A82CD3FB8752B9E00831891D5DDC6B0 A4B678FCAF0F0A2B76398794F10AF3FF
KEGG Ligand C11043
LINCS LSM-37160
Mcule MCULE-1125841404
Nikkaji J2.377I
NMRShiftDB 30097372
PubChem 4115
PubChem: Thomson Pharma 14827469
SureChEMBL SCHEMBL116390
ZINC ZINC00155246

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