Compound Detail
CHEMBL440618
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CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL440618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHTQHERQPPHQPE-UJGSWJOCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1681.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.36 | 6.36 | 435.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.27 | 6.27 | 536.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin rec... | 15658864 |
| Somatostatin receptor type 4 | IC50 | = | 435.0 | nM | 6.36 | Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin rec... | 15658864 |
| Somatostatin receptor type 3 | IC50 | = | 536.0 | nM | 6.27 | Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin rec... | 15658864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 1 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 2 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 3 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 4 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine