CHEMBL112612
SMILES | CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)c1cnc2ccccc2c1 |
InChIKey | ZNOZFOOJNXRTTB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 16 |
Molecular weight (Da) | 604.3 |
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 | 7.17 | 7.17 | 7.17 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.2 | 5.2 | 5.2 | ChEMBL |