Compound Detail
CHEMBL415860
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C[C@@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL415860 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KEKAEHDXIJNAIJ-ARNWWDNFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1033.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL3207 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Somatostatin receptor type 5 CHEMBL4318 | IC50 | 8.98 | 8.98 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | IC50 | = | 0.28 | nM | 9.55 | Compound was tested for the inhibition of mSSTR2b | 9216844 |
| Somatostatin receptor type 5 | IC50 | = | 0.77 | nM | 9.11 | compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5) | 9216844 |
| Somatostatin receptor type 5 | IC50 | = | 1.04 | nM | 8.98 | Compound was tested for the inhibition of rSSTR5 | 9216844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 5 | 2 |
| 9216844 | 10.1021/jm960851a | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine