CHEMBL112622
SMILES | CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc2ccccc2c1 |
InChIKey | HLGLLUXNZKBHDU-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 516.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pIC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |