CHEMBL226583
SMILES | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)N=C(C2CCCCC2)c2ccccc21 |
InChIKey | VLYZWOUEQOSDIN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 558.3 |
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 |
CCK2 | GASR | Dog | Cholecystokinin | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 8.02 | 8.02 | 8.02 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |