Compound Detail
CHEMBL430390
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Basic Information
| ChEMBL ID | CHEMBL430390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHQNSVGZDQRIHI-YJYMSZOUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.29
ALogP
6
HBA
4
HBD
94.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 6.31 | nM | 8.2 | Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells asse... | 17560786 |
| Beta-1 adrenergic receptor | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells asse... | 17560786 |
| Beta-2 adrenergic receptor | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells asse... | 17560786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17560786 | 10.1016/j.bmcl.2007.05.069 | Beta-3 adrenergic receptor | 2 |
| 17560786 | 10.1016/j.bmcl.2007.05.069 | Beta-2 adrenergic receptor | 2 |
| 17560786 | 10.1016/j.bmcl.2007.05.069 | Beta-1 adrenergic receptor | 2 |
| 17560786 | 10.1016/j.bmcl.2007.05.069 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine