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Compound Detail

CHEMBL32800

FENOTEROL
💊 Approved Drug
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💊 Approved Drug
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32800
Name FENOTEROL
Phase Approved
Structure Type MOL
InChI Key LSLYOANBFKQKPT-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Airum Berodual Berodual n Berotec Berotec 100 Berotec 200 Dosberotec Duovent Fenoterol Fenoterol hbr Fenoterol hydrobromide NSC-757811 +7 more
4
Targets
10
Activities
4
Assay Types
7
PK Parameters
20
Publications
19
Known Names
4
Indications
1
Mechanisms

Molecular Properties

303.4
MW (Da)
2.06
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Racemic

Routes of Administration

Oral

Flags

Withdrawn Natural Product
USAN Stem -terol
USAN Year 1971

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.43

Mechanism of Action

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

Indications

Lung Diseases, Obstructive Asthma Pulmonary Disease, Chronic Obstructive Heart Failure

ATC Classification

G02CA03
fenoterol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS
R03AC04
fenoterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC04
fenoterol
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Drug Warnings

Withdrawn
respiratory toxicity
Asthma Mortality
Country: New Zealand   Year: 1990

Activity Summary

EC50 5 meas. best 9.61
IC50 2 meas. best 7.22
Kd 2 meas. best 7.0
Ki 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 EC50 9.61 9.61 0.2 1
Beta-1 adrenergic receptor
CHEMBL213
 EC50 7.96 7.96 11.0 1
Beta-2 adrenergic receptor
CHEMBL5414
 EC50 7.75 7.735 18.0 2
Beta-3 adrenergic receptor
CHEMBL246
 EC50 7.66 7.66 21.9 1
Beta-2 adrenergic receptor
CHEMBL5414
 IC50 7.22 7.22 60.0 1
Beta-2 adrenergic receptor
CHEMBL210
 Kd 7.0 6.93 100.0 2
Beta-2 adrenergic receptor
CHEMBL210
 Ki 6.9 6.9 126.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 29.0 mL.min-1.kg-1 Homo sapiens
CL 33.0 mL.min-1.g-1 Homo sapiens
F 20.0 % Homo sapiens
Fu 0.53 - Homo sapiens
Ka 5.45 10'5/M/s Homo sapiens
MRT 0.69 hr Homo sapiens
T1/2 0.87 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 0.2455 nM 9.61 Agonist activity at human beta2-adrenergic receptor expressed in CHO-K1 cells co... 36495629
Beta-1 adrenergic receptor EC50 = 10.96 nM 7.96 Agonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells co... 36495629
Beta-2 adrenergic receptor EC50 = 18.0 nM 7.75 Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings asse... 17845020
Beta-2 adrenergic receptor EC50 = 19.0 nM 7.72 Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings asse... 17845020
Beta-3 adrenergic receptor EC50 = 21.88 nM 7.66 Agonist activity at human beta3-adrenergic receptor expressed in CHO-K1 cells co... 36495629
Beta-2 adrenergic receptor IC50 = 60.0 nM 7.22 In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trach... 12873495
Beta-2 adrenergic receptor Kd = 100.0 nM 7.0 Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM 23954364
Beta-2 adrenergic receptor Ki = 126.0 nM 6.9 Displacement of [3H]-CGP12177 from human recombinant beta2 adrenoceptor expresse... 24454993
Beta-2 adrenergic receptor Kd = 139.0 nM 6.86 Binding affinity to N-terminal FLAG-tagged C-terminal His-10-tagged human beta2 ... 24454993

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 5
30468386 10.1021/acs.jmedchem.8b01578 ADMET 5
18426954 10.1124/dmd.108.020479 ADMET 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 4
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 4
17845020 10.1021/jm0704595 Beta-2 adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 4
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
24454993 10.1021/ml400312j Beta-2 adrenergic receptor 3
34175538 10.1016/j.ejmech.2021.113630 ADMET 3
10780901 10.1021/jm991069o Rattus norvegicus 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 3

Data from ChEMBL 36 via Core Engine