Compound Detail
CHEMBL3350887
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CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3350887 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WYHYHVQLIDRPFA-OFJRXYJISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1314.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 6.61 | 6.61 | 247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | IC50 | = | 3.2 | nM | 8.49 | Binding affinity towards human somatostatin receptor type 4 using [125I][Leu8,D-... | 14667214 |
| Somatostatin receptor type 2 | IC50 | = | 118.0 | nM | 6.93 | Binding affinity towards human somatostatin receptor type 2 using [125I][Leu8,D-... | 14667214 |
| Somatostatin receptor type 3 | IC50 | = | 197.0 | nM | 6.71 | Binding affinity towards human somatostatin receptor type 3 using [125I][Leu8,D-... | 14667214 |
| Somatostatin receptor type 5 | IC50 | = | 247.0 | nM | 6.61 | Binding affinity towards human somatostatin receptor type 5 using [125I][Leu8,D-... | 14667214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 1 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 2 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 3 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 4 | 1 |
| 14667214 | 10.1021/jm030245x | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine