Compound Detail
CHEMBL558161
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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](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL558161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFWXTIRTVJJPDT-QOCTXULSSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1238.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.72
EC50 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | EC50 | 9.43 | 9.43 | 0.4 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | IC50 | = | 0.19 | nM | 9.72 | Displacement of [125I]LTT-SRIF-28 from human sst1 receptor by autoradiography | 19351180 |
| Somatostatin receptor type 1 | EC50 | = | 0.37 | nM | 9.43 | Agonist activity at human sst1 receptor expressed in Chinese hamster CCL39 cells... | 19351180 |
| Somatostatin receptor type 4 | IC50 | = | 27.0 | nM | 7.57 | Displacement of [125I]LTT-SRIF-28 from human sst4 receptor by autoradiography | 19351180 |
| Somatostatin receptor type 3 | IC50 | = | 158.0 | nM | 6.8 | Displacement of [125I]LTT-SRIF-28 from human sst3 receptor by autoradiography | 19351180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 1 | 6 |
| 19351180 | 10.1021/jm801314f | Unchecked | 4 |
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 2 | 2 |
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 3 | 1 |
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 4 | 1 |
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine