Compound Detail
CHEMBL1076627
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Cc1cn2cc(C[C@H](C)CN3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2n1
Basic Information
| ChEMBL ID | CHEMBL1076627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDSZHODNCMSGLL-LBDANMEMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
5.19
ALogP
5
HBA
0
HBD
44.1
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 7.4 | 7.4 | 39.8 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 6.97 | 6.97 | 107.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 39.81 | nM | 7.4 | Binding affinity to human SST1 receptor | 20137944 |
| Somatostatin receptor type 3 | Kd | = | 107.15 | nM | 6.97 | Binding affinity to human SST3 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Unchecked | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine