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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1966423
CHEMBL1966423
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34Cl2F3NO4S

Additional synonyms for CHEMBL1966423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F.CS(= ...
Download SMILES
Standard InChI InChI=1S/C26H30Cl2F3NO.CH4O3S/c1-3-5-10-32(11-6-4-2)12-9-25( ...
Download InChI
Standard InChI Key LMWPNWPFYVCINS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1966423

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 CHEMBL1966423. 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
CHEMBL2808 LXR-alpha Homo sapiens 0.637
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.385

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2808 LXR-alpha Homo sapiens 0.510
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.414

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
500.4 499.1657 8.2 11 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 2 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.57 9.44 8.9 6.93 3 33 0.27

Structural Alerts

There are 7 structural alerts for CHEMBL1966423. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LMWPNWPFYVCINS-UHFFFAOYSA-N
PubChem SID: 453893

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1966423



PubChem 328140

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