Compound Detail
CHEMBL250498
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COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL250498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZKDHOALYJMKLS-YOSAUDMPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
2.99
ALogP
6
HBA
0
HBD
79.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 8.88 | 8.88 | 1.3 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.17 | 5.17 | 6760.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 1.318 | nM | 8.88 | Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membra... | 17512199 |
| Somatostatin receptor type 2 | Kd | = | 6760.83 | nM | 5.17 | 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