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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL551466
CHEMBL551466
Compound Name ACLIDINIUM BROMIDE
ChEMBL Synonyms ACLIDINIUM BROMIDE | TUDORZA PRESSAIR | LAS 34273 | LAS 34273 MICRONIZED | 14115700 | LAS W-330
Max Phase 4 (Approved)
Trade Names TUDORZA PRESSAIR
Molecular Formula C26H30BrNO4S2

Additional synonyms for CHEMBL551466 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c4cccs4)c5 ...
Download SMILES
Standard InChI InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10- ...
Download InChI
Standard InChI Key XLAKJQPTOJHYDR-QTQXQZBYSA-M

Sources

  • British National Formulary
  • Manually Added Drugs
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL551466

Molecule Features

CHEMBL551466 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 Expert

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
BRONCHITIS, CHRONICD029481EFO:0006505CHRONIC BRONCHITIS4DailyMed
BRONCHIAL SPASMD0019864
LUNG DISEASES, OBSTRUCTIVED008173HP:0006536OBSTRUCTIVE LUNG DISEASE4ATC
EMPHYSEMAD004646EFO:0000464EMPHYSEMA4DailyMed
PULMONARY DISEASE, CHRONIC OBSTRUCTIVED029424EFO:0000341CHRONIC OBSTRUCTIVE PULMONARY DISEASE4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov ACLIDINIUM BROMIDE
The Cochrane Collaboration ACLIDINIUM BROMIDE

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 CHEMBL551466. 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
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.989
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.985
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.842



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.999
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.993
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.859
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.823
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.410

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
484.7 484.1616 3.4 10 112.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.19 - 1.34 1.34 3 33 0.27

Structural Alerts

There are 4 structural alerts for CHEMBL551466. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BB - Anticholinergics
R03BB05 - aclidinium bromide

ChemSpider ChemSpider:XLAKJQPTOJHYDR-QTQXQZBYSA-M
DailyMed aclidinium bromide
Wikipedia Aclidinium_bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL551466



ACToR 320345-99-1
ChEBI 65344
EPA CompTox Dashboard DTXSID30185854
FDA SRS UQW7UF9N91
MolPort MolPort-027-836-029
PubChem 11519741
PubChem: Drugs of the Future 49684225
PubChem: Thomson Pharma 16789675
SureChEMBL SCHEMBL72694

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XLAKJQPTOJHYDR-QTQXQZBYSA-M spacer
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