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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1873703
CHEMBL1873703
Compound Name DIELDRIN
ChEMBL Synonyms COMPOUND 497 | DIELDRIN | HEOD
Max Phase 0
Trade Names
Molecular Formula C12H8Cl6O

Additional synonyms for CHEMBL1873703 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]4C[C@H]([C@@H]5O[C@H]45)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)1 ...
Download InChI
Standard InChI Key DFBKLUNHFCTMDC-PICURKEMSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1873703

Molecule Features

CHEMBL1873703 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DIELDRIN
The Cochrane Collaboration DIELDRIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1873703. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.777
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.273

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.504
CHEMBL1075302 Sodium/glucose cotransporter 2 Mus musculus 0.439
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.389
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.315
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
380.9 377.8706 4.48 0 12.53 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.48 4.48 0 19 0.34

Structural Alerts

There are 16 structural alerts for CHEMBL1873703. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFBKLUNHFCTMDC-PICURKEMSA-N
PubChem SID: 144213990 SID: 26757408

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1873703



ACToR 60-57-1
ChEBI 34696
eMolecules 29536690
EPA CompTox Dashboard DTXSID9020453
FDA SRS I0246D2ZS0
IBM Patent System 13D0A8AD118C5BE44F42A898D88191A3
KEGG Ligand C13718
MolPort MolPort-046-426-377
PubChem 969491
PubChem: Thomson Pharma 16014815
SureChEMBL SCHEMBL72829
ZINC ZINC000000607816

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