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

CHEMBL49080

CLENBUTEROL
🧪 Phase II
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
🧪 Phase II
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49080
Name CLENBUTEROL
Phase Phase II
Structure Type MOL
InChI Key STJMRWALKKWQGH-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Clenbuterol Contraspasmin NAB 365 NSC-758633 Planipart Spiropent Spiropent mite
5
Targets
11
Activities
4
Assay Types
0
PK Parameters
20
Publications
7
Known Names
5
Indications
1
Mechanisms

Molecular Properties

277.2
MW (Da)
3.00
ALogP
3
HBA
3
HBD
58.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -terol

Extended Properties

Molecular Formula C12H18Cl2N2O
MW 277.19
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.32

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Beta-2 adrenergic receptor agonist AGONIST Beta-2 adrenergic receptor ✓ ✓

Indications

Lung Diseases, Obstructive Amyotrophic Lateral Sclerosis Bulbo-Spinal Atrophy, X-Linked Glycogen Storage Disease Type II Parkinson Disease

ATC Classification

R03AC14
clenbuterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC13
clenbuterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

IC50 4 meas. best 7.39
Ki 4 meas. best 7.55
Kd 2 meas. best 7.8
EC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL5414
 EC50 7.89 7.89 13.0 1
Beta-2 adrenergic receptor
CHEMBL210
 Kd 7.8 7.8 15.8 1
Beta-2 adrenergic receptor
CHEMBL210
 Ki 7.55 6.895 28.0 2
Beta-2 adrenergic receptor
CHEMBL3373
 Kd 7.44 7.44 36.0 1
Beta-2 adrenergic receptor
CHEMBL210
 IC50 7.39 6.64 41.0 2
Beta-1 adrenergic receptor
CHEMBL213
 Ki 7.16 7.16 69.0 1
Beta-1 adrenergic receptor
CHEMBL213
 IC50 6.92 6.92 120.0 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 5.82 5.82 1515.0 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 IC50 5.58 5.58 2652.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 13.0 nM 7.89 Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as ... 19245211
Beta-2 adrenergic receptor Kd = 15.85 nM 7.8 Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM 23954364
Beta-2 adrenergic receptor Ki = 28.0 nM 7.55 DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) -
Beta-2 adrenergic receptor Kd = 36.0 nM 7.44 Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... 2993621
Beta-2 adrenergic receptor IC50 = 41.0 nM 7.39 DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) -
Beta-1 adrenergic receptor Ki = 69.0 nM 7.16 DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) -
Beta-1 adrenergic receptor IC50 = 120.0 nM 6.92 DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) -
Beta-2 adrenergic receptor Ki = 570.0 nM 6.24 Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... 19245211
Beta-2 adrenergic receptor IC50 = 1300.0 nM 5.89 Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... 19245211
5-hydroxytryptamine receptor 1A Ki = 1515.0 nM 5.82 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: ... -
5-hydroxytryptamine receptor 1A IC50 = 2652.0 nM 5.58 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: ... -

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 72
2870189 10.1021/jm00154a020 Beta-2 adrenergic receptor 4
19245211 10.1021/jm801211c Beta-2 adrenergic receptor 4
12747795 10.1021/jm030767c No relevant target 4
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
1350309 10.1021/jm00088a009 Beta-3 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine