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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1742464
CHEMBL1742464
Compound Name INDOPANOLOL
ChEMBL Synonyms INDOPANOLOL
Max Phase 0
Trade Names
Molecular Formula C20H23ClN2O3

Additional synonyms for CHEMBL1742464 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1[nH]c2cccc(OCC(O)CNCCOc3ccccc3)c2c1Cl
Standard InChI InChI=1S/C20H23ClN2O3/c1-14-20(21)19-17(23-14)8-5-9-18(19)26 ...
Download InChI
Standard InChI Key KTODVGFADXOWDU-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1742464

Molecule Features

CHEMBL1742464 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 INDOPANOLOL
The Cochrane Collaboration INDOPANOLOL

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1742464. 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
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
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.996
CHEMBL313 Serotonin transporter Rattus norvegicus 0.993
CHEMBL228 Serotonin transporter Homo sapiens 0.967
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.952
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.768



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.997
CHEMBL313 Serotonin transporter Rattus norvegicus 0.984
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.946
CHEMBL228 Serotonin transporter Homo sapiens 0.945
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.928
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.869
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.275

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
374.9 374.1397 3.54 9 66.51 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.81 8.29 4.19 3.14 3 26 0.5

Structural Alerts

There are 2 structural alerts for CHEMBL1742464. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KTODVGFADXOWDU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1742464



IBM Patent System 695FA7B036D2CDAC64B60B024CF1500C
PubChem 13034801
SureChEMBL SCHEMBL1255812

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