bradyzide
SMILES | CN(CCN(C)C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NNC(=S)NC(c1ccccc1)c1ccccc1 |
InChIKey | ZIBIVIRBYMBEHZ-NDEPHWFRSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 15 |
Molecular weight (Da) | 682.3 |
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 |
B2 | BKRB2 | Human | Bradykinin | A | pKi | 6.3 | 6.4 | 6.5 | Guide to Pharmacology |
B2 | BKRB2 | Rat | Bradykinin | A | pKi | 9.2 | 9.35 | 9.5 | Guide to Pharmacology |
B2 | BKRB2 | Rat | Bradykinin | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
B2 | BKRB2 | Human | Bradykinin | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |