Compound Detail
CHEMBL56181
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NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1
Basic Information
| ChEMBL ID | CHEMBL56181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKTFQNGZGUOWLG-GFRPZHATSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
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 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 1040.0 | nM | 5.98 | Tested for binding affinity at human Somatostatin receptor type 4 using ([3-125I... | 12723949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723949 | 10.1021/jm0205088 | Somatostatin receptor type 4 | 1 |
| 12723949 | 10.1021/jm0205088 | No relevant target | 1 |
| 12723949 | 10.1021/jm0205088 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine