CHEMBL59234
| SMILES | Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2CC1CCCCC1 |
| InChIKey | IRCIITOKKBCNGO-JYFHCDHNSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 586.3 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 9.06 | 9.06 | 9.06 | ChEMBL |