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Compound Detail

CHEMBL546

OXPRENOLOL
💊 Approved Drug
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💊 Approved Drug
C=CCOc1ccccc1OCC(O)CNC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL546
Name OXPRENOLOL
Phase Approved
Structure Type MOL
InChI Key CEMAWMOMDPGJMB-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Oxprenolol
2
Targets
2
Activities
2
Assay Types
5
PK Parameters
20
Publications
1
Known Names
1
Indications

Molecular Properties

265.4
MW (Da)
1.99
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1983
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -olol
USAN Year 1968

Extended Properties

Molecular Formula C15H23NO3
MW 265.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.33

Indications

Cardiovascular Diseases

ATC Classification

C07AA02
oxprenolol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: BETA BLOCKING AGENTS

Activity Summary

IC50 1 meas. best 4.54
Ki 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 7.03 7.03 93.3 1
Solute carrier family 22 member 1
CHEMBL5685
 IC50 4.54 4.54 28600.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 49.0 % Homo sapiens
F 97.0 % Homo sapiens
Fu 0.45 - Rattus norvegicus
Fu 0.28 - Rattus norvegicus
Vd 11.8 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1A Ki = 93.33 nM 7.03 Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... 8568799
Solute carrier family 22 member 1 IC50 = 28600.0 nM 4.54 Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT... 18788725

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
722725 10.1021/jm00210a001 ADMET 8
490553 10.1021/jm00195a014 ADMET 8
19397318 10.1021/jm9003945 No relevant target 5
536997 10.1021/jm00198a020 Unchecked 4
20879794 10.1021/jf102525e No relevant target 4
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 3
17418579 10.1016/j.bmc.2007.03.040 ADMET 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 3
21149540 10.1124/dmd.110.035998 Brain 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
19764786 10.1021/jm901036q Plasma 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
20014752 10.1021/tx900326k Hepatotoxicity 3
11384238 10.1021/jm001101a Homo sapiens 3
6118435 10.1021/jm00143a020 Adrenergic receptor beta 2
6145802 10.1021/jm00373a003 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine