Compound Detail
CHEMBL408347
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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL408347 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PDOUJSYSARKFTN-CKUVSZACSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1163.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.92
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor CHEMBL2096977 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor | IC50 | = | 2.6 | nM | 8.59 | Antagonism of in vitro SRIF inhibition of GH release in rat in vitro pituitary c... | 10354394 |
| Somatostatin receptor type 2 | Ki | = | 12.0 | nM | 7.92 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 3 | Ki | = | 38.0 | nM | 7.42 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 5 | Ki | = | 140.0 | nM | 6.85 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 1 | Ki | = | 1400.0 | nM | 5.85 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 1 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 2 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 3 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 4 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor type 5 | 1 |
| 10354394 | 10.1021/jm9806289 | Somatostatin receptor | 1 |
Data from ChEMBL 36 via Core Engine