Compound Detail
CHEMBL3349521
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C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=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](C)NC(=O)[C@H](CCCCN)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3349521 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QMADDWGLQWSRCU-GAPIIPPYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1593.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 9.6 | 9.6 | 0.3 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 9.2 | 9.2 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 0.1259 | nM | 9.9 | Binding affinity towards human Somatostatin receptor type 2 (sst2) using Tyr11-[... | 12773038 |
| Somatostatin receptor type 5 | Ki | = | 0.1585 | nM | 9.8 | Binding affinity towards human Somatostatin receptor type 5 (sst5) using Tyr11-[... | 12773038 |
| Somatostatin receptor type 1 | Ki | = | 0.2512 | nM | 9.6 | Binding affinity towards human Somatostatin receptor type 1 (sst1) using Tyr11-[... | 12773038 |
| Somatostatin receptor type 3 | Ki | = | 0.631 | nM | 9.2 | Binding affinity towards human Somatostatin receptor type 3 (sst3) using Tyr11-[... | 12773038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773038 | 10.1021/jm021093t | Somatostatin receptor type 1 | 1 |
| 12773038 | 10.1021/jm021093t | Somatostatin receptor type 2 | 1 |
| 12773038 | 10.1021/jm021093t | Somatostatin receptor type 3 | 1 |
| 12773038 | 10.1021/jm021093t | Somatostatin receptor type 4 | 1 |
| 12773038 | 10.1021/jm021093t | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine