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Compound Detail

CHEMBL1256786

FORMOTEROL
💊 Approved Drug
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💊 Approved Drug
COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256786
Name FORMOTEROL
Phase Approved
Structure Type MOL
InChI Key BPZSYCZIITTYBL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Formoterol Oxis
9
Targets
51
Activities
4
Assay Types
4
PK Parameters
20
Publications
2
Known Names
11
Indications

Molecular Properties

344.4
MW (Da)
2.22
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2001
Availability Prescription
Chirality Racemic

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -terol
USAN Year 1997

Extended Properties

Molecular Formula C19H24N2O4
MW 344.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.07

Indications

Lung Diseases, Obstructive Asthma Bronchiectasis Bronchitis Emphysema Pulmonary Disease, Chronic Obstructive Alzheimer Disease Bronchiolitis Obliterans Hypersensitivity Respiratory Distress Syndrome Severe Acute Respiratory Syndrome

ATC Classification

R03AC13
formoterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC15
formoterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

EC50 30 meas. best 9.72
Ki 13 meas. best 8.59
IC50 7 meas. best 9.4
Kd 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 EC50 9.72 9.1073 0.2 15
Beta-2 adrenergic receptor
CHEMBL5414
 EC50 9.5 9.15 0.3 2
Beta-1 adrenergic receptor
CHEMBL5471
 EC50 9.5 9.5 0.3 1
Beta-2 adrenergic receptor
CHEMBL5414
 IC50 9.4 9.4 0.4 2
Oryctolagus cuniculus
CHEMBL374
 IC50 8.85 8.85 1.4 1
Beta-2 adrenergic receptor
CHEMBL210
 Kd 8.6 8.6 2.5 1
Beta-2 adrenergic receptor
CHEMBL210
 Ki 8.59 7.9338 2.6 8
Beta-1 adrenergic receptor
CHEMBL213
 EC50 7.9 7.4567 12.6 6
Beta-3 adrenergic receptor
CHEMBL246
 EC50 7.6 7.6 25.1 4
Beta-1 adrenergic receptor
CHEMBL213
 Ki 6.5 6.2333 315.0 3
D(3) dopamine receptor
CHEMBL234
 Ki 5.79 5.79 1626.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9 10000.0 4
D(2) dopamine receptor
CHEMBL217
 Ki 4.89 4.89 13000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 25.0 mL.min-1.g-1 Rattus norvegicus
CL 214.0 mL.min-1.g-1 Rattus norvegicus
T1/2 1.8 hr Rattus norvegicus
T1/2 1.8 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 0.19 nM 9.72 Agonist activity at human beta2-adrenoceptor expressed in HEK cells assessed as ... 21310610
Beta-2 adrenergic receptor EC50 = 0.1995 nM 9.7 Agonist activity at human recombinant beta2 receptor assessed as cAMP accumulati... 24813741
Beta-2 adrenergic receptor EC50 = 0.1995 nM 9.7 Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP a... 24835980
Beta-1 adrenergic receptor EC50 = 0.3162 nM 9.5 Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as... 19317397
Beta-2 adrenergic receptor EC50 = 0.3162 nM 9.5 Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as ... 21696967
Beta-2 adrenergic receptor IC50 = 0.4 nM 9.4 Agonist activity at adrenergic beta2 receptor in electrically-stimulated Dunkin-... 25065493
Beta-2 adrenergic receptor EC50 = 0.4 nM 9.4 Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed a... 19875286
Beta-2 adrenergic receptor EC50 = 0.4 nM 9.4 Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as... 19643607
Beta-2 adrenergic receptor IC50 = 0.4 nM 9.4 Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip asses... 20402514
Beta-2 adrenergic receptor EC50 = 0.5012 nM 9.3 Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cell... 19317397
Beta-2 adrenergic receptor EC50 = 0.5012 nM 9.3 Agonist activity at human adrenergic beta2 receptor expressed in H292 cells asse... 21652207
Beta-2 adrenergic receptor EC50 = 0.5012 nM 9.3 Agonist activity at human adrenergic beta2 receptor expressed in CHO cells asses... 21696967
Beta-2 adrenergic receptor EC50 = 1.0 nM 9.0 Agonist activity at human adrenergic beta2 receptor expressed in H292 cells asse... 21723724
Beta-2 adrenergic receptor EC50 = 1.0 nM 9.0 Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as... 22079756
Beta-2 adrenergic receptor EC50 = 1.3 nM 8.89 Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP... 20402514
Oryctolagus cuniculus IC50 = 1.4 nM 8.85 Concentration required to inhibit electrically induced contraction of superfused... 15324892
Beta-2 adrenergic receptor EC50 = 1.585 nM 8.8 Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset ... 24813741
Beta-2 adrenergic receptor EC50 = 2.512 nM 8.6 Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cel... 24900851
Beta-2 adrenergic receptor EC50 = 2.512 nM 8.6 Agonist activity at human beta2 receptor in BEAS-2B cells assessed as cAMP accum... 24813741
Beta-2 adrenergic receptor EC50 = 2.512 nM 8.6 Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cA... 24835980

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
24900851 10.1021/ml4005232 Beta-2 adrenergic receptor 6
21696967 10.1016/j.bmc.2011.05.064 Beta-2 adrenergic receptor 6
19317397 10.1021/jm801016j Beta-1 adrenergic receptor 5
24813741 10.1016/j.bmcl.2014.04.069 Beta-2 adrenergic receptor 5
19643607 10.1016/j.bmcl.2009.06.104 Cavia porcellus 5
20402514 10.1021/jm100068m Beta-2 adrenergic receptor 5
24835980 10.1016/j.bmcl.2014.04.095 Beta-2 adrenergic receptor 4
25065493 10.1016/j.bmcl.2014.06.014 Beta-2 adrenergic receptor 4
19734910 10.1038/nchembio.215 Plasmodium falciparum 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20804199 10.1021/jm1005989 Canis familiaris 3
20655218 10.1016/j.bmcl.2010.06.136 Beta-2 adrenergic receptor 3
28703592 10.1021/acs.jmedchem.7b00205 Lipid bilayer 3
24813741 10.1016/j.bmcl.2014.04.069 Unchecked 3
19643607 10.1016/j.bmcl.2009.06.104 Beta-2 adrenergic receptor 2
19643607 10.1016/j.bmcl.2009.06.104 Beta-1 adrenergic receptor 2
21723724 10.1016/j.bmcl.2011.05.097 Unchecked 2
19317397 10.1021/jm801016j Unchecked 2
15324892 10.1016/j.bmcl.2004.06.086 No relevant target 2

Data from ChEMBL 36 via Core Engine