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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24955
CHEMBL24955
Compound Name BEXLOSTERIDE
ChEMBL Synonyms LY-191704 | BEXLOSTERIDE
Max Phase 0
Trade Names
Molecular Formula C14H16ClNO

Additional synonyms for CHEMBL24955 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O
Standard InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5- ...
Download InChI
Standard InChI Key WQBIOEFDDDEARX-CHWSQXEVSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL24955

Molecule Features

CHEMBL24955 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 BEXLOSTERIDE
The Cochrane Collaboration BEXLOSTERIDE

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 CHEMBL24955. 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
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.995
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.995
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.991
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.987
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.920
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.918
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.341
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.222



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.994
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.979
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.971
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.962
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.944
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.942
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.616
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.403

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
249.7 249.092 2.87 0 20.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.34 3.34 1 17 0.69

Structural Alerts

There are no structural alerts for CHEMBL24955

Compound Cross References

ChemSpider ChemSpider:WQBIOEFDDDEARX-CHWSQXEVSA-N
Wikipedia Bexlosteride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24955



ACToR 148905-78-6
BindingDB 50368782
Brenda 27919 112105 112168 51217
FDA SRS 36X732P4P0
IBM Patent System CD343913808B092AED148F4717A2BBBC
Nikkaji J533.755K
PubChem 166562
PubChem: Drugs of the Future 12014772
PubChem: Thomson Pharma 15122184
SureChEMBL SCHEMBL225678

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