Compound Detail
CHEMBL282803
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NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL282803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XESWSTANEUBVSE-SRWPCTQNSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
678.9
MW (Da)
7.35
ALogP
7
HBA
2
HBD
97.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.7
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 5.19 | 5.19 | 6400.0 | 1 |
| Somatostatin receptor CHEMBL2111427 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 2000.0 | nM | 5.7 | Binding affinity for human receptor subtype hSSTR4. | 9554871 |
| Somatostatin receptor type 2 | Ki | = | 2700.0 | nM | 5.57 | Binding affinity for human receptor subtype hSSTR2 | 9554871 |
| Somatostatin receptor type 5 | Ki | = | 3400.0 | nM | 5.47 | Binding affinity for human receptor subtype hSSTR5. | 9554871 |
| Somatostatin receptor type 1 | Ki | = | 4400.0 | nM | 5.36 | Binding affinity for human receptor subtype hSSTR1 | 9554871 |
| Somatostatin receptor type 3 | Ki | = | 6400.0 | nM | 5.19 | Binding affinity for human receptor subtype hSSTR3. | 9554871 |
| Somatostatin receptor | IC50 | = | 47000.0 | nM | 4.33 | Binding affinity was measured for SRIF receptor on AtT-20 mouse pituitary cells | 9554871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor | 1 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor type 1 | 1 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor type 2 | 1 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor type 3 | 1 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor type 4 | 1 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine