Compound Detail
CHEMBL5812815
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CN1C[C@H](NC(=O)C(C)(C)COc2ncccc2C2CC2)[C@@H](c2ccc(C(F)(F)F)nc2)C1
Basic Information
| ChEMBL ID | CHEMBL5812815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJSXLKMUSMYMPM-MOPGFXCFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.99
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | EC50 | = | 20.0 | nM | 7.7 | Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... | - |
| Somatostatin receptor type 1 | IC50 | = | 126.0 | nM | 6.9 | SSTR1 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR4:... | - |
| Somatostatin receptor type 4 | IC50 | = | 200.0 | nM | 6.7 | SSTR4 I-125 Somatostatin Competition Binding Assay: This membrane-based assay me... | - |
Data from ChEMBL 36 via Core Engine