Compound Detail
CHEMBL3298327
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Basic Information
| ChEMBL ID | CHEMBL3298327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COPATRABLBBGEU-VWLOTQADSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.24
ALogP
6
HBA
5
HBD
106.6
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.6
Ki 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.6 | 9.15 | 0.3 | 2 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.2512 | nM | 9.6 | Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP a... | 24835980 |
| Beta-2 adrenergic receptor | EC50 | = | 1.995 | nM | 8.7 | Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cA... | 24835980 |
| Beta-2 adrenergic receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expre... | 24835980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24835980 | 10.1016/j.bmcl.2014.04.095 | Beta-2 adrenergic receptor | 4 |
| 24835980 | 10.1016/j.bmcl.2014.04.095 | Unchecked | 1 |
| 24835980 | 10.1016/j.bmcl.2014.04.095 | Beta-1 adrenergic receptor | 1 |
| 24835980 | 10.1016/j.bmcl.2014.04.095 | Beta-3 adrenergic receptor | 1 |
| 24835980 | 10.1016/j.bmcl.2014.04.095 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine