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Compound Detail

CHEMBL1760

TERBUTALINE
💊 Approved Drug
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💊 Approved Drug
CC(C)(C)NCC(O)c1cc(O)cc(O)c1

Basic Information

ChEMBL ID CHEMBL1760
Name TERBUTALINE
Phase Approved
Structure Type MOL
InChI Key XWTYSIMOBUGWOL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Asthmasian Terbutalin Terbutalina Terbutaline
2
Targets
4
Activities
2
Assay Types
15
PK Parameters
20
Publications
4
Known Names
6
Indications

Molecular Properties

225.3
MW (Da)
1.52
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1974
Availability Prescription
Chirality Racemic

Routes of Administration

Oral Parenteral Topical

Flags

Black Box Warning Natural Product
USAN Year 1970

Extended Properties

Molecular Formula C12H19NO3
MW 225.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.52

Indications

Lung Diseases, Obstructive Asthma Pulmonary Disease, Chronic Obstructive Neuralgia Purpura, Thrombocytopenic, Idiopathic Diabetes Mellitus, Type 1

ATC Classification

R03AC03
terbutaline
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC03
terbutaline
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC53
terbutaline, combinations
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

Kd 3 meas. best 5.6
EC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
Kd 5.6 5.6 2510.0 2
Beta-2 adrenergic receptor
CHEMBL210
EC50 5.5 5.5 3162.3 1
Beta-2 adrenergic receptor
CHEMBL3373
Kd 5.4 5.4 3980.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 3.1 mL.min-1.kg-1 Homo sapiens
CL 3.4 mL.min-1.kg-1 Homo sapiens
CL 1.2 mL.min-1.kg-1 Homo sapiens
CL 3.4 mL.min-1.kg-1 Homo sapiens
CL 3.4 mL.min-1.kg-1 Homo sapiens
F 20.0 % Homo sapiens
F 14.0 % Homo sapiens
F 14.0 % Homo sapiens
Fu 0.8 - -
Fu 0.187 - -
Fu 0.8 - Homo sapiens
Fu 0.75 - Homo sapiens
Fu 0.75 - Homo sapiens
MRT 7.4 hr Homo sapiens
T1/2 15.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 214
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
9836611 10.1021/jm9810102 No relevant target 7
12061889 10.1021/jm0200409 ADMET 5
15658873 10.1021/jm049711o ADMET 5
18426954 10.1124/dmd.108.020479 ADMET 4
6453996 10.1021/jm00137a030 Cavia porcellus 4
2870189 10.1021/jm00154a020 Beta-2 adrenergic receptor 4
9836611 10.1021/jm9810102 ADMET 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
20014752 10.1021/tx900326k Hepatotoxicity 3
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 3
20373811 10.1021/jm901846t No relevant target 3
10891117 10.1021/jm0000564 No relevant target 2
38747896 10.1021/acs.jmedchem.4c00596 No relevant target 2
10841786 10.1021/jm991156g Liposome 2
2993621 10.1021/jm00147a037 Beta-2 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine