Compound Detail
CHEMBL1076710
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CCOc1ccc(C[C@H](C)CN2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1
Basic Information
| ChEMBL ID | CHEMBL1076710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZEIROPEHDVJSM-DAANFHMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
5.02
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.47
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 7.85 | 7.85 | 14.1 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 5.63 | 5.63 | 2344.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 14.13 | nM | 7.85 | Binding affinity to human SST3 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 2344.23 | nM | 5.63 | Binding affinity to human SST1 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine