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Compound Detail

CHEMBL605846

OLODATEROL
💊 Approved Drug
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💊 Approved Drug
COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605846
Name OLODATEROL
Phase Approved
Structure Type MOL
InChI Key COUYJEVMBVSIHV-SFHVURJKSA-N
Therapeutic ✓ Yes

Known Names

BI 1744 BI-1744 Olodaterol Striverdi respimat
2
Targets
5
Activities
1
Assay Types
6
PK Parameters
20
Publications
4
Known Names
4
Indications

Molecular Properties

386.4
MW (Da)
2.38
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2014
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -terol
USAN Year 2011

Extended Properties

Molecular Formula C21H26N2O5
MW 386.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.15

Indications

Lung Diseases, Obstructive Pulmonary Disease, Chronic Obstructive Asthma Liver Diseases

ATC Classification

R03AC19
olodaterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

EC50 5 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 EC50 10.7 10.34 0.0 3
Beta-1 adrenergic receptor
CHEMBL213
 EC50 7.47 7.19 33.9 2

Pharmacokinetic Data

Parameter Value Units Species
CL 45.0 mL.min-1.kg-1 Rattus norvegicus
CL 13.0 mL.min-1.kg-1 Homo sapiens
CL 14.0 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 14.0 mL.min-1.g-1 Homo sapiens
F 3.0 % Rattus norvegicus
T1/2 47.0 hr Cavia porcellus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 0.02 nM 10.7 Agonist activity at beta2 adrenoceptor (unknown origin) 33213146
Beta-2 adrenergic receptor EC50 = 0.05495 nM 10.26 Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ... 38347756
Beta-2 adrenergic receptor EC50 = 0.0871 nM 10.06 Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells ass... 34273662
Beta-1 adrenergic receptor EC50 = 33.88 nM 7.47 Agonist activity at human beta1 adrenoceptor expressed in HEK293 cells assessed ... 38347756
Beta-1 adrenergic receptor EC50 = 123.03 nM 6.91 Agonist activity at human beta1 adrenoreceptor overexpressed in HEK293 cells ass... 34273662

Literature References

PubMed DOI Target Context # Activities
38347756 10.1021/acs.jmedchem.3c02074 Trachea 4
- 10.6019/CHEMBL3301361 ADMET 4
34273662 10.1016/j.ejmech.2021.113697 Unchecked 3
34273662 10.1016/j.ejmech.2021.113697 Cavia porcellus 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
34273662 10.1016/j.ejmech.2021.113697 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
33213146 10.1021/acs.jmedchem.0c01195 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
20096576 10.1016/j.bmcl.2009.12.087 Caco-2 2

Data from ChEMBL 36 via Core Engine