Compound Detail
CHEMBL2011464
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CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2011464 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PYIFQVKTNXNUCZ-GERVPSNRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
823.0
MW (Da)
2.31
ALogP
8
HBA
7
HBD
219.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 6.61 | 6.61 | 247.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.51 | 6.51 | 308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | IC50 | = | 4.2 | nM | 8.38 | Binding affinity to human sst2 by in vitro receptor autoradiography assay | 24900340 |
| Somatostatin receptor type 5 | IC50 | = | 247.0 | nM | 6.61 | Binding affinity to human sst5 by in vitro receptor autoradiography assay | 24900340 |
| Somatostatin receptor type 3 | IC50 | = | 308.0 | nM | 6.51 | Binding affinity to human sst3 by in vitro receptor autoradiography assay | 24900340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 2 | 2 |
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 4 | 1 |
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 3 | 1 |
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 1 | 1 |
| 24900340 | 10.1021/ml200032v | Rattus norvegicus | 1 |
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine