Compound Detail
CHEMBL452074
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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](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL452074 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LSNCPDOPCVHFBM-GFDUUSBCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1177.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.53 | 6.53 | 296.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | IC50 | = | 5.7 | nM | 8.24 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst2 receptor expr... | 18410083 |
| Somatostatin receptor type 3 | IC50 | = | 112.0 | nM | 6.95 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst3 receptor expr... | 18410083 |
| Somatostatin receptor type 5 | IC50 | = | 218.0 | nM | 6.66 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst5 receptor expr... | 18410083 |
| Somatostatin receptor type 4 | IC50 | = | 296.0 | nM | 6.53 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst4 receptor expr... | 18410083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 2 | 2 |
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 1 | 1 |
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 5 | 1 |
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 3 | 1 |
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine