Details of the Drug

General Information of Drug (ID: DMSQ1JV)

Drug Name
LAS-34273
Synonyms Bretaris; Eklira; Aclidinium bromide; LAS-W-330; [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]oct-8-yl] 2-hydroxy-2,2-dithiophen-2-yl-acetate Bromide
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 564.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 10
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C26H30BrNO4S2
IUPAC Name
[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
Canonical SMILES
C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
InChI
InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
InChIKey
XLAKJQPTOJHYDR-QTQXQZBYSA-M
Cross-matching ID
PubChem CID
11519741
ChEBI ID
CHEBI:65344
CAS Number
320345-99-1
TTD ID
D07KHH
ACDINA ID
D00807

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M3 (CHRM3) TTQ13Z5 ACM3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Chronic obstructive pulmonary disease
ICD Disease Classification CA22
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M3 (CHRM3) DTT CHRM3 4.61E-07 -0.59 -0.73
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Aclidinium Bromide 0.4mg/inh powder 0.4mg/inh Powder Inhalation
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
2 Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.