CHEMBL325624
SMILES | Cc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4scnc34)c2Cl)cc1 |
InChIKey | YVCCZTMYGONBGP-JLHYYAGUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 539.1 |
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 |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pEC50 | 5.89 | 5.89 | 5.89 | ChEMBL |