Compound Detail
CHEMBL285333
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NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL285333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGKLLMOSPWTKLM-MHIGEHEBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
668.8
MW (Da)
6.08
ALogP
8
HBA
3
HBD
125.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 100.0 | nM | 7.0 | Binding affinity for human receptor subtype hSSTR4. | 9554871 |
| Somatostatin receptor type 1 | Ki | = | 300.0 | nM | 6.52 | Binding affinity for human receptor subtype hSSTR1 | 9554871 |
| Somatostatin receptor type 2 | Ki | = | 800.0 | nM | 6.1 | Binding affinity for human receptor subtype hSSTR2 | 9554871 |
| Somatostatin receptor type 3 | Ki | = | 900.0 | nM | 6.05 | Binding affinity for human receptor subtype hSSTR3. | 9554871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor | 1 |
Data from ChEMBL 36 via Core Engine