Compound Detail
CHEMBL184538
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Basic Information
| ChEMBL ID | CHEMBL184538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTLPMPPAPOCJQW-SANMLTNESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.37
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Ki 1 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.94 | 7.94 | 11.6 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 11.6 | nM | 7.94 | Binding affinity for human beta-2 adrenergic receptor | 15324892 |
| Oryctolagus cuniculus | IC50 | = | 251.0 | nM | 6.6 | Concentration required to inhibit electrically induced contraction of superfused... | 15324892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324892 | 10.1016/j.bmcl.2004.06.086 | Beta-2 adrenergic receptor | 1 |
| 15324892 | 10.1016/j.bmcl.2004.06.086 | Oryctolagus cuniculus | 1 |
| 15324892 | 10.1016/j.bmcl.2004.06.086 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine