CHEMBL433776
| SMILES | CCCc1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 |
| InChIKey | CXIIAZUZMXKQBV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 435.3 |
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 | Rat | Cholecystokinin | A | pKd | 7.28 | 7.28 | 7.28 | ChEMBL |
| CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |