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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL196537
CHEMBL196537
Compound Name CHLORDANE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H6Cl8

Additional synonyms for CHEMBL196537 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
Standard InChI InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)1 ...
Download InChI
Standard InChI Key BIWJNBZANLAXMG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL196537

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
409.8 405.7978 5.68 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.89 5.89 0 18 0.45

Structural Alerts

There are 12 structural alerts for CHEMBL196537. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A2 - GABA-GATED CHLORIDE CHANNEL ANTAGONISTS
A22A - CYCLODIENE ORGANOCHLORINES
A22A1 - CHLORDANE
ChemSpider ChemSpider:BIWJNBZANLAXMG-UHFFFAOYSA-N
PubChem SID: 144207488 SID: 17389114

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL196537



ACToR 22212-52-8 12789-03-6 17436-70-3 39400-80-1 33442-85-2
BindingDB 50410490
ChEBI 34623
EPA CompTox Dashboard DTXSID7020267
Guide to Pharmacology 2831
IBM Patent System FE47572AB19AA09963BEC441AB133264
KEGG Ligand C14176
Nikkaji J4.407E
PubChem 5993
PubChem: Thomson Pharma 15254259
SureChEMBL SCHEMBL75811

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