Compound Detail
CHEMBL1814279
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Basic Information
| ChEMBL ID | CHEMBL1814279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUDHUVPJKZWKRO-SANMLTNESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
3.31
ALogP
7
HBA
7
HBD
160.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human adrenergic beta2 receptor expressed in CHO cells asses... | 21696967 |
| Beta-3 adrenergic receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human adrenergic beta3 receptor expressed in CHO cells asses... | 21696967 |
| Beta-1 adrenergic receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human adrenergic beta1 receptor expressed in CHO cells asses... | 21696967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696967 | 10.1016/j.bmc.2011.05.064 | Beta-2 adrenergic receptor | 2 |
| 21696967 | 10.1016/j.bmc.2011.05.064 | Beta-1 adrenergic receptor | 1 |
| 21696967 | 10.1016/j.bmc.2011.05.064 | Beta-3 adrenergic receptor | 1 |
| 21696967 | 10.1016/j.bmc.2011.05.064 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine