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Compound Detail

CHEMBL1201213

ISOETHARINE
💊 Approved Drug
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💊 Approved Drug
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201213
Name ISOETHARINE
Phase Approved
Structure Type MOL
InChI Key HUYWAWARQUIQLE-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Dilabron Etyprenaline Isoetarina Isoetarine Isoetharine Neoisuprel WIN 3406 WIN-3046 WIN-3406 WIN3406
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
10
Known Names
1
Indications

Molecular Properties

239.3
MW (Da)
1.91
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1979
Availability Discontinued
Chirality Racemic

Routes of Administration

Topical

Flags

Natural Product
USAN Year 1962

Extended Properties

Molecular Formula C13H21NO3
MW 239.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.58

Indications

Lung Diseases, Obstructive

ATC Classification

R03AC07
isoetarine
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03CC06
isoetarine
Level 1: RESPIRATORY SYSTEM
Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

Kd 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 Kd 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor Kd = 1000.0 nM 6.0 Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM 23954364

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 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 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
36067397 10.1021/acs.jmedchem.2c01075 Solute carrier family 22 member 3 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine