lintitript
| SMILES | OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl |
| InChIKey | ILNRQFBVVQUOLP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 411.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 7F8U |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 9.24 | 9.24 | 9.24 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 9.25 | 9.25 | 9.25 | ChEMBL |