CHEMBL197370
SMILES | CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)O)c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 |
InChIKey | HKBYMWFROSMGAG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 449.3 |
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 | pKd | 7.96 | 7.96 | 7.96 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |