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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153585
CHEMBL153585
Compound Name INDENOLOL
ChEMBL Synonyms INDENOLOL HYDROCHLORIDE | INDENOLOL | SCH 28316Z
Max Phase 0
Trade Names
Molecular Formula C15H21NO2

Additional synonyms for CHEMBL153585 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1cccc2CC=Cc12
Standard InChI InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3- ...
Download InChI
Standard InChI Key MPGBPFMOOXKQRX-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL153585

Molecule Features

CHEMBL153585 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 INDENOLOL
The Cochrane Collaboration INDENOLOL

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 CHEMBL153585. 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
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL4302 P-glycoprotein 1 Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.994
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.975
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.892
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.466
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.331



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL4302 P-glycoprotein 1 Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL1795116 Protein arginine N-methyltransferase 5 Homo sapiens 0.996
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.996
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.993
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.727
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.415

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
247.3 247.1572 1.99 6 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
13.86 9.08 2.32 .54 1 18 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL153585. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MPGBPFMOOXKQRX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153585



ACToR 60607-68-3
DrugBank DB08952
IBM Patent System BAFB1FCF10003D386779A63777ED7B49
Nikkaji J20.856F
PubChem 71955
PubChem: Thomson Pharma 15440623
SureChEMBL SCHEMBL79021

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