Compound Detail
CHEMBL12864
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CCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL12864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPZEEYGUUWGID-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
4.47
ALogP
7
HBA
6
HBD
149.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 4.6 | nM | 8.34 | Agonist activity towards human Beta-3 adrenergic receptor | 9871717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871717 | 10.1016/s0960-894x(98)00170-x | Beta-3 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine