CHEMBL2018874
SMILES | COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2CC(=O)N[C@H]1CC[C@H](CCN2CCCC2)CC1 |
InChIKey | HPUKFHWFJDSVSH-SWZCCTPQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 655.2 |
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 | 8.05 | 8.05 | 8.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B1 | BKRB1 | Rat | Bradykinin | A | pIC50 | 7.37 | 7.37 | 7.37 | ChEMBL |