CHEMBL1934254
SMILES | O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21)c1cccc(-c2coc3cccc(Cl)c3c2=O)c1 |
InChIKey | WHIWCHUIEMMUMQ-MUUNZHRXSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 526.2 |
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 | 7.54 | 7.54 | 7.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B1 | BKRB1 | Human | Bradykinin | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
B1 | BKRB1 | Rabbit | Bradykinin | A | pIC50 | 6.61 | 6.61 | 6.61 | ChEMBL |