CHEMBL1210744
SMILES | C=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 |
InChIKey | GHBJXDOCTOUSIE-FIRIVFDPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 611.2 |
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 |
B1 | BKRB1 | Human | Bradykinin | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B1 | BKRB1 | Human | Bradykinin | A | pIC50 | 8.01 | 8.01 | 8.01 | ChEMBL |