Compound Detail
CHEMBL5197218
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O=[N+]([O-])c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
Basic Information
| ChEMBL ID | CHEMBL5197218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXOFADKRDXDBGM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.40
ALogP
6
HBA
2
HBD
118.3
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.01
Ki 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.44 | 7.44 | 36.6 | 2 |
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 7.01 | 7.01 | 98.4 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | EC50 | 7.01 | 7.01 | 98.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 36.6 | nM | 7.44 | Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... | 34458738 |
| Somatostatin receptor type 4 | Ki | = | 36.6 | nM | 7.44 | Radioligand Binding Assay: Competitive radioligand binding experiments were perf... | - |
| Somatostatin receptor type 4 | EC50 | = | 98.4 | nM | 7.01 | Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... | 34458738 |
| Somatostatin receptor type 3 | EC50 | = | 98.4 | nM | 7.01 | Activity Assays: Measurement of forskolin stimulated inhibition of cAMP was perf... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 4 | 2 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine