Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL523299

UMECLIDINIUM BROMIDE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523299
Name UMECLIDINIUM BROMIDE
Phase Approved
Structure Type MOL
InChI Key PEJHHXHHNGORMP-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL1187833
Active Moiety CHEMBL1187833

Known Names

Anoro ellipta Bromure d'umeclidinium Bromuro de umeclidinio GSK-573719A GSK573719A Incruse ellipta Incruse ellipta (previously incruse) Rolufta ellipta (previously rolufta) Umeclidinium brom Umeclidinium bromide Umeclidinium bromide component of trelegy ellipta
3
Targets
7
Activities
2
Assay Types
1
PK Parameters
9
Publications
11
Known Names
5
Indications
1
Mechanisms

Molecular Properties

428.6
MW (Da)
5.14
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2013
Availability Prescription
Chirality Achiral

Routes of Administration

Topical
USAN Stem -clidinium; -ium
USAN Year 2011

Extended Properties

Molecular Formula C29H34BrNO2
MW 508.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.04

Mechanism of Action

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

Indications

Bronchitis, Chronic Emphysema Lung Diseases, Obstructive Pulmonary Disease, Chronic Obstructive Asthma

ATC Classification

R03BB07
umeclidinium bromide
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

Kd 4 meas. best 10.5
Ki 3 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Kd 10.5 10.5 0.0 1
Muscarinic acetylcholine receptor M3
CHEMBL245
 Kd 10.5 10.0 0.0 2
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 10.22 10.22 0.1 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 9.82 9.82 0.1 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 9.8 9.8 0.2 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Kd 9.5 9.5 0.3 1

Pharmacokinetic Data

Parameter Value Units Species
CL 92.0 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M3 Kd = 0.03162 nM 10.5 Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cell... 19317446
Muscarinic acetylcholine receptor M2 Kd = 0.03162 nM 10.5 Antagonist activity at human cloned muscarinic M2 receptor expressed in CHO cell... 19317446
Muscarinic acetylcholine receptor M3 Ki = 0.06 nM 10.22 Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 recepto... 19317446
Muscarinic acetylcholine receptor M2 Ki = 0.15 nM 9.82 Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M2 recepto... 19317446
Muscarinic acetylcholine receptor M1 Ki = 0.16 nM 9.8 Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M1 recepto... 19317446
Muscarinic acetylcholine receptor M3 Kd = 0.3162 nM 9.5 Antagonist activity at human muscarinic M3 receptor assessed as inhibition of ca... 19317446
Muscarinic acetylcholine receptor M1 Kd = 0.3162 nM 9.5 Antagonist activity at human cloned muscarinic M1 receptor expressed in CHO cell... 19317446

Literature References

PubMed DOI Target Context # Activities
19317446 10.1021/jm801601v Muscarinic acetylcholine receptor M3 6
19317446 10.1021/jm801601v Muscarinic acetylcholine receptor M1 2
19317446 10.1021/jm801601v Muscarinic acetylcholine receptor M2 2
19317446 10.1021/jm801601v Mus musculus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19317446 10.1021/jm801601v Rattus norvegicus 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine