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Compound Detail

CHEMBL551466

ACLIDINIUM BROMIDE
💊 Approved Drug
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💊 Approved Drug
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551466
Name ACLIDINIUM BROMIDE
Phase Approved
Structure Type MOL
InChI Key XLAKJQPTOJHYDR-QTQXQZBYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL1194325
Active Moiety CHEMBL1194325

Known Names

14115700 Aclidinium bromide Aclidinium bromide component of duaklir pressair Bretaris genuair Bromure d'aclidinium Bromuro de aclidinio Eklira Eklira genuair Genuair LAS 34273 LAS 34273 MICRONIZED LAS W-330 +5 more
6
Targets
14
Activities
3
Assay Types
4
PK Parameters
20
Publications
17
Known Names
6
Indications
1
Mechanisms

Molecular Properties

484.7
MW (Da)
4.67
ALogP
6
HBA
1
HBD
55.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2012
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Topical
USAN Stem -clidinium; -ium
USAN Year 2007

Extended Properties

Molecular Formula C26H30BrNO4S2
MW 564.57
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.04

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST Muscarinic acetylcholine receptor M3 ✓ ✓

Indications

Bronchial Spasm Bronchitis, Chronic Emphysema Lung Diseases, Obstructive Pulmonary Disease, Chronic Obstructive Tobacco Use Disorder

ATC Classification

R03BB05
aclidinium bromide
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

IC50 8 meas. best 10.0
Ki 5 meas. best 10.15
Kd 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 10.15 9.7 0.1 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 10.1 9.735 0.1 2
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 10.1 10.1 0.1 1
Unchecked
CHEMBL612545
 Kd 10.1 10.1 0.1 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 IC50 10.0 9.925 0.1 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 IC50 9.9 9.835 0.1 2
Muscarinic acetylcholine receptor M3
CHEMBL245
 IC50 9.9 9.835 0.1 2
Muscarinic acetylcholine receptor M5
CHEMBL2035
 IC50 9.8 9.8 0.2 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 IC50 9.7 9.7 0.2 1

Pharmacokinetic Data

Parameter Value Units Species
CL 145.0 mL.min-1.g-1 Homo sapiens
CL 145.0 mL.min-1.g-1 Homo sapiens
T1/2 0.03667 hr Homo sapiens
T1/2 1.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M3 Ki = 0.07 nM 10.15 Binding affinity to muscarinic M3 receptor 19653626
Unchecked Kd = 0.07943 nM 10.1 Antagonist potency at M3 receptor in Dunkin Hartley guinea pig trachea assessed ... 22047691
Muscarinic acetylcholine receptor M2 Ki = 0.08 nM 10.1 Binding affinity to muscarinic M2 receptor 19653626
Muscarinic acetylcholine receptor M1 Ki = 0.08 nM 10.1 Binding affinity to muscarinic M1 receptor 19653626
Muscarinic acetylcholine receptor M1 IC50 = 0.1 nM 10.0 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 ce... 21036043
Muscarinic acetylcholine receptor M3 IC50 = 0.1259 nM 9.9 Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 ce... 21036043
Muscarinic acetylcholine receptor M2 IC50 = 0.1259 nM 9.9 Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 ce... 21036043
Muscarinic acetylcholine receptor M1 IC50 = 0.14 nM 9.85 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cel... 19653626
Muscarinic acetylcholine receptor M5 IC50 = 0.1585 nM 9.8 Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 ce... 21036043
Muscarinic acetylcholine receptor M2 IC50 = 0.17 nM 9.77 Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cel... 19653626
Muscarinic acetylcholine receptor M3 IC50 = 0.17 nM 9.77 Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cel... 19653626
Muscarinic acetylcholine receptor M4 IC50 = 0.1995 nM 9.7 Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 ce... 21036043
Muscarinic acetylcholine receptor M2 Ki = 0.43 nM 9.37 Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubat... 31204225
Muscarinic acetylcholine receptor M3 Ki = 0.56 nM 9.25 Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubat... 31204225

Literature References

PubMed DOI Target Context # Activities
31204225 10.1016/j.bmc.2019.06.016 Mus musculus 4
19653626 10.1021/jm900132z Plasma 4
24837158 10.1016/j.bmc.2014.04.031 Rattus norvegicus 3
19653626 10.1021/jm900132z Cavia porcellus 3
19653626 10.1021/jm900132z Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
19653626 10.1021/jm900132z Mus musculus 2
19653626 10.1021/jm900132z Muscarinic acetylcholine receptor M3 2
19653626 10.1021/jm900132z Muscarinic acetylcholine receptor M1 2
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M1 1
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M3 1
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M4 1
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M5 1
22047691 10.1016/j.bmcl.2011.10.002 Unchecked 1
22047691 10.1016/j.bmcl.2011.10.002 Plasma 1
22047691 10.1016/j.bmcl.2011.10.002 Liver microsomes 1
22047691 10.1016/j.bmcl.2011.10.002 Muscarinic acetylcholine receptor M2 1
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine