CHEMBL505225
| SMILES | O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12 |
| InChIKey | MVJXOVUJJUHESX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 578.2 |
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 | Mouse | Cholecystokinin | A | pEC50 | 9.85 | 9.85 | 9.85 | ChEMBL |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pEC50 | 10.03 | 10.03 | 10.03 | ChEMBL |
| CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 10.52 | 10.52 | 10.52 | ChEMBL |