Compound Detail
CHEMBL4073098
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CCS(=O)(=O)Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1
Basic Information
| ChEMBL ID | CHEMBL4073098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWLVJSCNIGKBRT-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.13
ALogP
7
HBA
4
HBD
137.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 18.0 | nM | 7.75 | Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO... | 28355078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28355078 | 10.1021/acs.jmedchem.6b01197 | Beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine