Compound Detail
CHEMBL1076652
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CC(Cc1ccc2c(c1)OCO2)CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL1076652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATZADORLXNSGND-HOBDMLJSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
4.73
ALogP
7
HBA
0
HBD
88.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 6.79 | 6.79 | 162.2 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 6.31 | 6.31 | 489.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 162.18 | nM | 6.79 | Binding affinity to human SST3 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 489.78 | nM | 6.31 | Binding affinity to human SST1 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 1 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine