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Compound Detail

CHEMBL16476

PRONETALOL
💊 Approved Drug
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💊 Approved Drug
CC(C)NCC(O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16476
Name PRONETALOL
Phase Approved
Structure Type MOL
InChI Key HRSANNODOVBCST-UHFFFAOYSA-N

Known Names

AY 6204 FREE BASE AY-6204 FREE BASE AY-6204 HCL COMPOUND 38174 Dl-pronethalol GNF-PF-2670 ICI 38174 FREE BASE ICI-38174 FREE BASE Inetol Naphthylisoproterenol Pronetalol Pronethalol
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
12
Known Names
2
Mechanisms

Molecular Properties

229.3
MW (Da)
2.87
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Racemic

Flags

Withdrawn Natural Product
USAN Stem -alol

Extended Properties

Molecular Formula C15H19NO
MW 229.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Beta-1 adrenergic receptor antagonist ANTAGONIST Beta-1 adrenergic receptor ✓ ✓
Beta-2 adrenergic receptor antagonist ANTAGONIST Beta-2 adrenergic receptor ✓ ✓

Drug Warnings

Withdrawn
carcinogenicity
Animal carcinogenicity (rodent)
Country: United Kingdom   Year: 1965

Activity Summary

EC50 2 meas. best 6.44
Kd 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL3373
 Kd 6.8 6.8 160.0 1
Plasmodium falciparum
CHEMBL364
 EC50 6.44 6.39 366.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor Kd = 160.0 nM 6.8 Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... 2993621
Plasmodium falciparum EC50 = 366.0 nM 6.44 NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... 18579783
Plasmodium falciparum EC50 = 455.0 nM 6.34 NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... 18579783

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00046-2 ADMET 4
2993621 10.1021/jm00147a037 Beta-2 adrenergic receptor 2
6102152 10.1021/jm00176a002 Adrenergic receptor beta 2
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 2
18579783 10.1073/pnas.0802982105 Plasmodium falciparum 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.1016/S0960-894X(97)00046-2 Adrenergic receptor beta 1
6102152 10.1021/jm00176a002 Felis catus 1
18579783 10.1073/pnas.0802982105 Unchecked 1
18579783 10.1073/pnas.0802982105 Huh-7 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine