CHEMBL169931
SMILES | COc1cccc(NC(=O)NC2CCc3ccccc3N(CC(=O)O)C2=O)c1 |
InChIKey | LDKASJPGQAISEW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 383.1 |
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 |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.07 | 5.29 | 5.51 | ChEMBL |