Compound Detail
CHEMBL5797414
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Cc1nn(C)cc1[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5797414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDRHMWIYPRNREI-DOTOQJQBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
2.76
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | EC50 | = | 5.01 | nM | 8.3 | Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... | - |
| Somatostatin receptor type 4 | IC50 | = | 100.0 | nM | 7.0 | SSTR4 I-125 Somatostatin Competition Binding Assay: This membrane-based assay me... | - |
| Somatostatin receptor type 1 | IC50 | = | 398.0 | nM | 6.4 | SSTR1 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR4:... | - |
Data from ChEMBL 36 via Core Engine