Compound Detail
CHEMBL440072
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C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)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 | CHEMBL440072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVEJUSYNERNRME-XGFVQVCISA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1389.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 10.49
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 10.49 | 10.49 | 0.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 9.54 | 9.54 | 0.3 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Kd | 9.49 | 9.49 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 0.032 | nM | 10.49 | Displacement of [125I]somatostatin from human SSTR3 expressed in CHO-K1 cell mem... | 30735385 |
| Somatostatin receptor type 4 | Kd | = | 0.2 | nM | 9.7 | Displacement of [125I]somatostatin from human SSTR4 expressed in CHO-K1 cell mem... | 30735385 |
| Somatostatin receptor type 1 | Kd | = | 0.29 | nM | 9.54 | Displacement of [125I]somatostatin from human SSTR1 expressed in CHO-K1 cell mem... | 30735385 |
| Somatostatin receptor type 5 | Kd | = | 0.32 | nM | 9.49 | Displacement of [125I]somatostatin from human SSTR5 expressed in CHO-K1 cell mem... | 30735385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30735385 | 10.1021/acs.jmedchem.8b02036 | Somatostatin receptor type 2 | 1 |
| 30735385 | 10.1021/acs.jmedchem.8b02036 | Somatostatin receptor type 1 | 1 |
| 30735385 | 10.1021/acs.jmedchem.8b02036 | Somatostatin receptor type 3 | 1 |
| 30735385 | 10.1021/acs.jmedchem.8b02036 | Somatostatin receptor type 4 | 1 |
| 30735385 | 10.1021/acs.jmedchem.8b02036 | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine