Compound Detail
CHEMBL399843
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CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL399843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABHDMVMRRKFFON-DNVFCKCGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
582.6
MW (Da)
3.21
ALogP
8
HBA
0
HBD
113.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 8.81 | 8.81 | 1.5 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.45 | 5.45 | 3548.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 1.549 | nM | 8.81 | Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane | 17507221 |
| Somatostatin receptor type 2 | Kd | = | 3548.13 | nM | 5.45 | Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane | 17507221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17507221 | 10.1016/j.bmcl.2007.04.086 | Somatostatin receptor type 1 | 1 |
| 17507221 | 10.1016/j.bmcl.2007.04.086 | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine