Compound Detail
CHEMBL3098601
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C[C@H](N)C(=O)NCC(=O)N[C@H]1C/C=C\C[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3098601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRXMDPIKHIFDPV-APLWEPAHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1598.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 9.51 | 9.51 | 0.3 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 8.75 | 8.75 | 1.8 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 8.37 | 8.37 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | Ki | = | 0.2 | nM | 9.7 | Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells | 24342240 |
| Somatostatin receptor type 1 | Ki | = | 0.31 | nM | 9.51 | Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells | 24342240 |
| Somatostatin receptor type 2 | Ki | = | 0.41 | nM | 9.39 | Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells | 24342240 |
| Somatostatin receptor type 4 | Ki | = | 1.77 | nM | 8.75 | Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells | 24342240 |
| Somatostatin receptor type 3 | Ki | = | 4.24 | nM | 8.37 | Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells | 24342240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 5 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 4 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 3 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 2 | 1 |
| 24342240 | 10.1016/j.bmcl.2013.11.065 | Somatostatin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine