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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152231
CHEMBL152231
Compound Name AMOSULALOL
ChEMBL Synonyms AMOSULALOL | AMOSULALOL HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C18H24N2O5S

Additional synonyms for CHEMBL152231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1OCCNCC(O)c2ccc(C)c(c2)S(=O)(=O)N
Standard InChI InChI=1S/C18H24N2O5S/c1-13-7-8-14(11-18(13)26(19,22)23)15(21 ...
Download InChI
Standard InChI Key LVEXHFZHOIWIIP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL152231

Molecule Features

CHEMBL152231 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 AMOSULALOL
The Cochrane Collaboration AMOSULALOL

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 CHEMBL152231. 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
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.981
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.947
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.417



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.938
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.618
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.414

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
380.5 380.1406 1.35 9 110.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.13 8.18 1.5 .71 2 26 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL152231. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LVEXHFZHOIWIIP-UHFFFAOYSA-N
Wikipedia Amosulalol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152231



ACToR 85320-68-9 99435-46-8
BindingDB 81882
ChEBI 135592
DrugCentral 190
IBM Patent System 8958A915590A6708B9F6046359D926F8
Nikkaji J239.723D
PubChem 2169
PubChem: Thomson Pharma 14853573
SureChEMBL SCHEMBL48933

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