CHEMBL346070
| SMILES | CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)N1CCCC1)NC(=O)Nc1cccc(OC)c1 |
| InChIKey | DTSANQSRTBGPPK-XMMPIXPASA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 488.3 |
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 | 6.32 | 6.32 | 6.32 | ChEMBL |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |