CHEMBL163506
SMILES | O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C(/S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 |
InChIKey | NZHNZHDVZIVCNG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 12 |
Molecular weight (Da) | 605.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Rat | Bradykinin | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |