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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65717
CHEMBL65717
Compound Name MEPINDOLOL
ChEMBL Synonyms MEPINDOLOL
Max Phase 0
Trade Names
Molecular Formula C15H22N2O2

Additional synonyms for CHEMBL65717 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1cccc2[nH]c(C)cc12
Standard InChI InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(1 ...
Download InChI
Standard InChI Key NXWGWUVGUSFQJC-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL65717

Molecule Features

CHEMBL65717 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ATC

Clinical Data

ClinicalTrials.gov MEPINDOLOL
The Cochrane Collaboration MEPINDOLOL

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 CHEMBL65717. 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
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.990
CHEMBL228 Serotonin transporter Homo sapiens 0.938
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.846
CHEMBL313 Serotonin transporter Rattus norvegicus 0.806
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.617
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.330
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.229



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.991
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.990
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.915
CHEMBL228 Serotonin transporter Homo sapiens 0.862
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.637
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.586
CHEMBL313 Serotonin transporter Rattus norvegicus 0.545
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.511

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
262.4 262.1681 2.21 6 57.28 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.95 9.55 2.3 .11 2 19 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL65717. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C07 - BETA BLOCKING AGENTS
C07A - BETA BLOCKING AGENTS
C07AA - Beta blocking agents, non-selective
C07AA14 - mepindolol

ChemSpider ChemSpider:NXWGWUVGUSFQJC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65717



ChEBI 135082
DrugBank DB13530
DrugCentral 1697
IBM Patent System 2BE92002819470094C8DE71626DF2F2B
MolPort MolPort-006-123-904
Nikkaji J20.368H
PubChem 71698
PubChem: Thomson Pharma 14872404
SureChEMBL SCHEMBL79365

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