Compound Detail
CHEMBL1076657
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COC(=O)c1cc(CC(C)CN2CC3CCCCC3C(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1
Basic Information
| ChEMBL ID | CHEMBL1076657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCUHKPSXGQGWCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
4.43
ALogP
9
HBA
0
HBD
122.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 8.54 | 8.54 | 2.9 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 2.884 | nM | 8.54 | Binding affinity to human SST3 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 1000.0 | nM | 6.0 | 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