CHEMBL473612
SMILES | CN1C(=O)[C@@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 |
InChIKey | VLKJKVMACAESPP-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 510.1 |
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 | Human | Cholecystokinin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKd | 8.94 | 8.94 | 8.94 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |