CHEMBL138592
SMILES | COc1ccccc1NC(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O |
InChIKey | LCXMDFBFVZFXEB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 414.2 |
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 | 6.22 | 6.22 | 6.22 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |