Compound Detail
CHEMBL412859
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CC(C)[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)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL412859 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NUBKAVGOKIBUDW-DZDBGDIESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1203.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.43
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Somatostatin receptor CHEMBL2096977 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 6.14 | 6.14 | 725.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 37.0 | nM | 7.43 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor | IC50 | = | 91.0 | nM | 7.04 | Antagonism of in vitro SRIF inhibition of GH release in rat in vitro pituitary c... | 10354394 |
| Somatostatin receptor type 5 | Ki | = | 725.0 | nM | 6.14 | The compound was tested for binding affinity against human Somatostatin receptor... | 10354394 |
| Somatostatin receptor type 3 | Ki | = | 1600.0 | nM | 5.8 | 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