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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155622
CHEMBL155622
Compound Name NIPRADILOL
ChEMBL Synonyms Nipradilol
Max Phase 0
Trade Names
Molecular Formula C15H22N2O6

Additional synonyms for CHEMBL155622 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1cccc2CC(COc12)O[N+](=O)[O-]
Standard InChI InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13 ...
Download InChI
Standard InChI Key OMCPLEZZPVJJIS-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL155622

Molecule Features

CHEMBL155622 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 NIPRADILOL
The Cochrane Collaboration NIPRADILOL

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 CHEMBL155622. 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
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.999
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.986
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.966
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.964
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.912
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.816
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.368



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.999
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.995
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.994
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.953
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.929
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.710
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.578

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
326.4 326.1478 0.94 8 103.09 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.9 9.1 1.91 .11 1 23 0.54

Structural Alerts

There are 6 structural alerts for CHEMBL155622. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OMCPLEZZPVJJIS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155622



ACToR 81486-22-8
ChEBI 31682
DrugCentral 1940
PubChem 72006
PubChem: Drugs of the Future 12012787
PubChem: Thomson Pharma 14752961
SureChEMBL SCHEMBL48884

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