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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7467
CHEMBL7467
Compound Name FLESTOLOL
ChEMBL Synonyms FLESTOLOL | FLESTOLOL SULFATE | ACC-9089
Max Phase 0
Trade Names
Molecular Formula C15H22FN3O4

Additional synonyms for CHEMBL7467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(CNC(=O)N)NCC(O)COC(=O)c1ccccc1F
Standard InChI InChI=1S/C15H22FN3O4/c1-15(2,9-18-14(17)22)19-7-10(20)8-23-1 ...
Download InChI
Standard InChI Key ZPLOQFLCMVIWRY-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL7467

Molecule Features

CHEMBL7467 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FLESTOLOL
The Cochrane Collaboration FLESTOLOL

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 CHEMBL7467. 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
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.950
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.625
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.476

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.969
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.236

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
327.4 327.1594 0.38 8 113.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.37 8.43 .91 .17 1 23 0.52

Structural Alerts

There are 2 structural alerts for CHEMBL7467. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPLOQFLCMVIWRY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7467



ACToR 87721-62-8
IBM Patent System 47D8495E2A27CDAEC21A1378C3922C82
Nikkaji J128.615C
PubChem 55885
PubChem: Thomson Pharma 15347575
SureChEMBL SCHEMBL611921

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