Compound Detail
CHEMBL357995
BOPINDOLOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL357995 |
| Name | BOPINDOLOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UUOJIACWOAYWEZ-UHFFFAOYSA-N |
| Active Moiety | CHEMBL1878625 |
9
Targets
21
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names
1
Indications
Molecular Properties
380.5
MW (Da)
4.47
ALogP
4
HBA
2
HBD
63.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Cardiovascular Diseases
ATC Classification
C07AA17
bopindolol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: BETA BLOCKING AGENTS
Activity Summary
IC50 11 meas. best 7.7
Ki 9 meas. best 7.85
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.82 | 6.82 | 153.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.57 | 6.57 | 267.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 6.46 | 6.46 | 344.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.34 | 6.34 | 452.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.26 | 5.8033 | 548.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.5375 | 601.0 | 4 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.01 | 6.01 | 969.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.82 | 5.82 | 1523.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.8 | 5.8 | 1581.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.26 | 5.26 | 5476.4 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00046-2 | ADMET | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20547819 | 10.1128/aac.01777-09 | Unchecked | 1 |
| 20547819 | 10.1128/aac.01777-09 | Trypanosoma cruzi | 1 |
| 20081854 | 10.1038/nchembio.307 | Danio rerio | 1 |
Data from ChEMBL 36 via Core Engine