CHEMBL135447
SMILES | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCN(C)C)C2=O)c1 |
InChIKey | WHGIYSAHSDUFNI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 455.2 |
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 |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |