Compound Detail
CHEMBL165892
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CN(c1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL165892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEFLASZPSAGYOP-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
1.78
ALogP
7
HBA
4
HBD
130.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 220.0 | nM | 6.66 | Agonistic activity as cAMP accumulation in CHO cells expressing human beta-3-and... | 11277513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277513 | 10.1016/s0960-894x(01)00063-4 | Beta-3 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine