CHEMBL319882
SMILES | Cc1ccccc1[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N(CC(=O)NC(C)(C)C)[C@@H](c2ccccc2)C1 |
InChIKey | QCYMJCRFLUNCBF-MLKSZZLFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 571.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |