Compound Detail
CHEMBL4649897
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CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1
Basic Information
| ChEMBL ID | CHEMBL4649897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWNGKIWHLMJETN-BDRBHZDKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1668.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.69 | 6.69 | 204.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.11 | 6.11 | 772.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | IC50 | = | 204.0 | nM | 6.69 | Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... | 15658865 |
| Somatostatin receptor type 3 | IC50 | = | 772.0 | nM | 6.11 | Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... | 15658865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 1 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 2 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 3 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 4 | 1 |
| 15658865 | 10.1021/jm049519m | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine