Compound Detail
CHEMBL250900
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COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL250900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QETHHTIQYKOZBM-TZBSWOFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.87
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
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 1 CHEMBL4652 | Kd | 6.79 | 6.79 | 162.2 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 4.83 | 4.83 | 14791.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 162.18 | nM | 6.79 | Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membra... | 17512199 |
| Somatostatin receptor type 2 | Kd | = | 14791.08 | nM | 4.83 | Displacement of [125I]SRIF14 from rat sst2 receptor from rat brain cortex membra... | 17512199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17512199 | 10.1016/j.bmcl.2007.04.078 | Somatostatin receptor type 1 | 1 |
| 17512199 | 10.1016/j.bmcl.2007.04.078 | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine