Compound Detail
CHEMBL509336
RACTOPAMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL509336 |
| Name | RACTOPAMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YJQZYXCXBBCEAQ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
1
PK Parameters
5
Publications
2
Known Names
Molecular Properties
301.4
MW (Da)
2.74
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
EC50 1 meas. best 8.21
IC50 1 meas. best 6.48
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 8.21 | 8.21 | 6.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 111.2 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 6.2 | nM | 8.21 | Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as ... | 19245211 |
| Beta-2 adrenergic receptor | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... | 19245211 |
| Beta-2 adrenergic receptor | IC50 | = | 330.0 | nM | 6.48 | Displacement of [3H]CGP1217 from human recombinant adrenergic beta2 receptor tra... | 19245211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19245211 | 10.1021/jm801211c | Beta-2 adrenergic receptor | 4 |
| 33606526 | 10.1021/acs.jmedchem.0c02047 | POU domain, class 2, transcription factor 1 | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 33606526 | 10.1021/acs.jmedchem.0c02047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine