CHEMBL299387
| SMILES | O=C(NCC1CCCCCC1)c1cc2nc[nH]c2cc1C(=O)N[C@@H](Cc1ccccc1F)C(=O)Nc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 |
| InChIKey | UDIRBOXNWCGBGA-LJAQVGFWSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 691.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |