CHEMBL13517
| SMILES | Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 |
| InChIKey | DRQVDSCOJCYNGL-QGWJVEIISA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 694.3 |
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 |
| CCK2 | GASR | Rat | Cholecystokinin | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |