CHEMBL296167
| SMILES | O=C(CC1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1 |
| InChIKey | BNFRIDBZBVFJIR-FPHMAPQXSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 765.3 |
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 | 8.8 | 8.8 | 8.8 | ChEMBL |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |