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 |