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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1194325
CHEMBL1194325
Compound Name ACLIDINIUM
ChEMBL Synonyms LAS W-330 | 14115700 | LAS 34273 | LAS 34273 MICRONIZED | TUDORZA PRESSAIR | ACLIDINIUM | ACLIDINIUM BROMIDE
Max Phase 4 (Approved)
Trade Names TUDORZA PRESSAIR
Molecular Formula C26H30NO4S2

Additional synonyms for CHEMBL1194325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c4cccs4)c5cccs5
Standard InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18 ...
Download InChI
Standard InChI Key ASMXXROZKSBQIH-VITNCHFBSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1194325

Molecule Features

CHEMBL1194325 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
BRONCHIAL SPASMD0019864
BRONCHITIS, CHRONICD029481HP:0004469CHRONIC BRONCHITIS4
EMPHYSEMAD004646EFO:0000464EMPHYSEMA4
LUNG DISEASES, OBSTRUCTIVED008173HP:0006536OBSTRUCTIVE LUNG DISEASE4
PULMONARY DISEASE, CHRONIC OBSTRUCTIVED029424EFO:0000341CHRONIC OBSTRUCTIVE PULMONARY DISEASE4

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 CHEMBL1194325. 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
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.998
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.996
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.910



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
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
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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.936
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.936
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.539

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
- 6.81 1.78 1.49 3 33 0.27

Structural Alerts

There are 4 structural alerts for CHEMBL1194325. 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:ASMXXROZKSBQIH-VITNCHFBSA-N
DailyMed aclidinium bromide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1194325



BindingDB 50296331
ChEBI 65346
DrugBank DB08897
DrugCentral 4484
EPA CompTox Dashboard DTXSID00223070
FDA SRS K17VY42F6C
Guide to Pharmacology 7449
IBM Patent System 74C25EE7869B25094CE8C69A0069B2FD
Nikkaji J3.278.980C
PubChem 11434515
SureChEMBL SCHEMBL72141

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