CHEMBL9188
SMILES | CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 |
InChIKey | SGRNLJGJKBNCQI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 501.2 |
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 | 5.46 | 5.46 | 5.46 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |