Compound Detail
CHEMBL5282589
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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL5282589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTCWEYGKGQOXIE-LAHIFKPXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
633.8
MW (Da)
0.13
ALogP
7
HBA
7
HBD
212.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Somatostatin receptor type 5 CHEMBL4318 | IC50 | 6.66 | 6.66 | 217.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.6 | 6.6 | 253.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human somatostatin receptor type 4 | 27690430 |
| Somatostatin receptor type 5 | IC50 | = | 217.0 | nM | 6.66 | Inhibition of rat somatostatin receptor type 5 | 27690430 |
| Somatostatin receptor type 1 | IC50 | = | 253.0 | nM | 6.6 | Inhibition of human somatostatin receptor type 1 | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Somatostatin receptor type 1 | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Somatostatin receptor type 2 | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Somatostatin receptor type 3 | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Somatostatin receptor type 4 | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine