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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2111158
CHEMBL2111158
Compound Name TAZOLOL
ChEMBL Synonyms TAZOLOL HYDROCHLORIDE | RS-6245 | TAZOLOL
Max Phase 0
Trade Names
Molecular Formula C9H16N2O2S

Additional synonyms for CHEMBL2111158 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1nccs1
Standard InChI InChI=1S/C9H16N2O2S/c1-7(2)11-5-8(12)6-13-9-10-3-4-14-9/h3-4 ...
Download InChI
Standard InChI Key DREVJBVJBRSSDL-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2111158

Molecule Features

CHEMBL2111158 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 TAZOLOL
The Cochrane Collaboration TAZOLOL

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 CHEMBL2111158. 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 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.999
CHEMBL2526 Methionine aminopeptidase 1 Saccharomyces cerevisiae S288c 0.967
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 0.933
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.908
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.631
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.393
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.370
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.362



10uM


ChEMBL_ID Target Name Organism Score
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
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.999
CHEMBL2526 Methionine aminopeptidase 1 Saccharomyces cerevisiae S288c 0.996
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.995
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.921
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.550
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 0.380
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.348
CHEMBL1980 Sodium channel protein type V alpha subunit Homo sapiens 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
216.3 216.0932 0.88 6 54.38 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.59 8.98 1.35 -.29 1 14 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL2111158. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DREVJBVJBRSSDL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2111158



ACToR 39832-48-9
Nikkaji J446.393E
PubChem 71721
PubChem: Drugs of the Future 22395415
PubChem: Thomson Pharma 15121331
SureChEMBL SCHEMBL1253225

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