CHEMBL330977
SMILES | O=C(Nc1ccccc1)NC1C(=O)N(CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c2ccccc2N(c2ccccc2)C1=O |
InChIKey | RZERRLOTRSJIAW-FWOIXCLGSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 534.3 |
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 |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 5.79 | 6.02 | 6.32 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 7.08 | 8.67 | 9.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |