Compound Detail
CHEMBL1076622
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Cc1nc2cc(C[C@H](C)CN3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2o1
Basic Information
| ChEMBL ID | CHEMBL1076622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORWKFKYYOVHTJR-FOEQRGQYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.68
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 7 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 8.47 | 8.47 | 3.4 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 6.64 | 6.64 | 229.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Kd | 6.38 | 6.38 | 416.9 | 1 |
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 6.34 | 6.34 | 457.1 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Kd | 5.96 | 5.96 | 1096.5 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 5.86 | 5.86 | 1380.4 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Kd | 5.26 | 5.26 | 5495.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 3.388 | nM | 8.47 | Binding affinity to human SST3 receptor | 20137944 |
| Somatostatin receptor type 2 | Kd | = | 229.09 | nM | 6.64 | Displacement of [125I]SRIF-14 from rat cortex membrane SST2 receptor | 20137944 |
| Somatostatin receptor type 4 | Kd | = | 416.87 | nM | 6.38 | Binding affinity to human SST4 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 457.09 | nM | 6.34 | Displacement of [125I]SRIF-14 from rat cortex membrane SST1 receptor | 20137944 |
| Somatostatin receptor type 5 | Kd | = | 1096.48 | nM | 5.96 | Binding affinity to human SST5 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 1380.38 | nM | 5.86 | Binding affinity to human SST1 receptor | 20137944 |
| Somatostatin receptor type 2 | Kd | = | 5495.41 | nM | 5.26 | Binding affinity to human SST2 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Unchecked | 3 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 2 | 2 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 1 | 2 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 5 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 4 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine