CHEMBL158362
| SMILES | CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1 |
| InChIKey | ZCLCUGHPNSTPGZ-FQEVSTJZSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 429.3 |
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 | 4.72 | 6.02 | 6.7 | ChEMBL |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |