Compound Detail
CHEMBL284788
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CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL284788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUYNWHQLXWQJIX-QFIPXVFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.07
ALogP
7
HBA
5
HBD
139.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 39.0 | nM | 7.41 | In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the h... | 11311069 |
| Beta-2 adrenergic receptor | EC50 | = | 4700.0 | nM | 5.33 | Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta... | 11311069 |
| Beta-1 adrenergic receptor | EC50 | = | 9800.0 | nM | 5.01 | Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta... | 11311069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311069 | 10.1021/jm000544b | Beta-3 adrenergic receptor | 1 |
| 11311069 | 10.1021/jm000544b | Beta-2 adrenergic receptor | 1 |
| 11311069 | 10.1021/jm000544b | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine