CHEMBL2371224
| SMILES | C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O |
| InChIKey | MJIIJPLWPTZNRP-MJQNYGCISA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 675.3 |
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 |
| CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |