Compound Detail
CHEMBL250305
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COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL250305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPXPZPCOBCPHSK-DZRGJMJISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.86
ALogP
7
HBA
0
HBD
103.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 8.49 | 8.49 | 3.2 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.36 | 5.36 | 4365.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 3.236 | nM | 8.49 | Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membra... | 17512199 |
| Somatostatin receptor type 2 | Kd | = | 4365.16 | nM | 5.36 | 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