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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1159892
CHEMBL1159892
Compound Name PROCINOLOL
ChEMBL Synonyms SD 2124-01 | PROCINOLOL
Max Phase 0
Trade Names
Molecular Formula C15H23NO2

Additional synonyms for CHEMBL1159892 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1ccccc1C2CC2
Standard InChI InChI=1S/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15 ...
Download InChI
Standard InChI Key RTAGQMIEWAAKMO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1159892

Molecule Features

CHEMBL1159892 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 PROCINOLOL
The Cochrane Collaboration PROCINOLOL

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 CHEMBL1159892. 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
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.994
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.978
CHEMBL228 Serotonin transporter Homo sapiens 0.967
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.944
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.906
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.894
CHEMBL222 Norepinephrine transporter Homo sapiens 0.849
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.757
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.629
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.353
CHEMBL313 Serotonin transporter Rattus norvegicus 0.291
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.259



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL3815 Squalene synthetase Rattus norvegicus 0.999
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.997
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.996
CHEMBL228 Serotonin transporter Homo sapiens 0.984
CHEMBL222 Norepinephrine transporter Homo sapiens 0.963
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.942
CHEMBL238 Dopamine transporter Homo sapiens 0.915
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.897
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.893
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.886
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.861
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.842
CHEMBL1795116 Protein arginine N-methyltransferase 5 Homo sapiens 0.795

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
249.4 249.1729 2.3 7 41.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.88 9.44 3.07 .97 1 18 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL1159892. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RTAGQMIEWAAKMO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1159892



ACToR 27325-36-6
BindingDB 50421724
IBM Patent System 38CADA409AA6C3114D06D9DDD75A490C
Nikkaji J10.717D
PubChem 71707
PubChem: Drugs of the Future 22395401
PubChem: Thomson Pharma 14798599
SureChEMBL SCHEMBL1254736

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