CHEMBL334020
SMILES | O=C(Nc1ccccc1)NC1C(=O)N(CC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)c2ccccc2N(c2ccccc2)C1=O |
InChIKey | OSPBDIKHWUJZRP-WNECANPSSA-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 |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |