Compound Detail
CHEMBL1824052
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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](Cc2ccc3ccccc3c2)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 | CHEMBL1824052 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PPMRXEMNCQTEFU-RPZSHQLJSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1648.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
EC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | EC50 | 9.64 | 9.64 | 0.2 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | EC50 | = | 0.23 | nM | 9.64 | Agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by ... | 21806016 |
| Somatostatin receptor type 3 | IC50 | = | 1.0 | nM | 9.0 | Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after... | 21806016 |
| Somatostatin receptor type 2 | IC50 | = | 1.6 | nM | 8.8 | Displacement of 125I-[LTT]-SRIF-28 from human sst2 receptor in CCL39 cells after... | 21806016 |
| Somatostatin receptor type 5 | IC50 | = | 2.4 | nM | 8.62 | Displacement of 125I-[LTT]-SRIF-28 from human sst5 receptor in HEK293 cells afte... | 21806016 |
| Somatostatin receptor type 1 | IC50 | = | 4.1 | nM | 8.39 | Displacement of 125I-[LTT]-SRIF-28 from human sst1 receptor in CHO cells after 2... | 21806016 |
| Somatostatin receptor type 4 | IC50 | = | 12.0 | nM | 7.92 | Displacement of 125I-[LTT]-SRIF-28 from human sst4 receptor in CCL39 cells after... | 21806016 |
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 |
Data from ChEMBL 36 via Core Engine