Compound Detail
CHEMBL516837
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CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL516837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQURMEIWPYGRPB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
4.89
ALogP
5
HBA
0
HBD
69.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 7.74 | 7.74 | 18.2 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.46 | 5.46 | 3467.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 18.2 | nM | 7.74 | Binding affinity to rat sst1 receptor | 19208473 |
| Somatostatin receptor type 2 | Kd | = | 3467.37 | nM | 5.46 | Binding affinity to rat sst2 receptor | 19208473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 1 | 1 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 2 | 1 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine