CHEMBL227254
| SMILES | CN(c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1)c1nn[nH]n1 |
| InChIKey | FYQXEGHPESKWGJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 571.3 |
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 | Human | Cholecystokinin | A | pKi | 5.19 | 5.19 | 5.19 | ChEMBL |
| CCK2 | GASR | Human | Cholecystokinin | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 7.62 | 7.62 | 7.62 | ChEMBL |
| CCK2 | GASR | Dog | Cholecystokinin | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |