Compound Detail
CHEMBL5785607
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CN1CC[C@H](NC(=O)C(C)(C)COc2ncccc2C(F)(F)F)[C@@H](c2cnn(C(F)F)c2)C1
Basic Information
| ChEMBL ID | CHEMBL5785607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHCJYQCWWNFOPP-ZBFHGGJFSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.70
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
EC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.1 | 6.1 | 794.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | EC50 | = | 1.58 | nM | 8.8 | Inhibition of Forskolin Stimulated cAMP in Cells Overexpressing SSTR4: This cell... | - |
| Somatostatin receptor type 4 | IC50 | = | 50.1 | nM | 7.3 | SSTR4 I-125 Somatostatin Competition Binding Assay: This membrane-based assay me... | - |
| Somatostatin receptor type 1 | IC50 | = | 794.0 | nM | 6.1 | SSTR1 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR4:... | - |
Data from ChEMBL 36 via Core Engine