Compound Detail
CHEMBL282039
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Basic Information
| ChEMBL ID | CHEMBL282039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGWBMRMDTWHPJM-ORAYPTAESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
4.08
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.48 | 6.48 | 33.0 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 33.0 | nM | 7.48 | Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation... | 12657269 |
| Beta-1 adrenergic receptor | EC50 | = | 140.0 | nM | 6.85 | Agonistic activity against human Beta-1 adrenergic receptor by measuring cAMP ac... | 12657269 |
| Beta-3 adrenergic receptor | EC50 | = | 3300.0 | nM | 5.48 | Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAM... | 12657269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657269 | 10.1016/s0960-894x(03)00073-8 | Beta-3 adrenergic receptor | 4 |
| 12657269 | 10.1016/s0960-894x(03)00073-8 | Beta-2 adrenergic receptor | 2 |
| 12657269 | 10.1016/s0960-894x(03)00073-8 | Beta-1 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine