Compound Detail
CHEMBL1823873
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C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1823873 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NHXLMOGPVYXJNR-ZPHDWPCDSA-N |
5
Targets
11
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1637.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.96
Ki 5 meas. best 9.49
EC50 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | EC50 | 9.2 | 9.2 | 0.6 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 8.23 | 8.23 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21806016 | 10.1021/jm200307v | Somatostatin receptor type 3 | 3 |
| 21806016 | 10.1021/jm200307v | Somatostatin receptor type 1 | 1 |
| 21806016 | 10.1021/jm200307v | Somatostatin receptor type 2 | 1 |
| 21806016 | 10.1021/jm200307v | Somatostatin receptor type 4 | 1 |
| 21806016 | 10.1021/jm200307v | Somatostatin receptor type 5 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 5 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 4 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 3 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 2 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine