CHEMBL1196121
SMILES | CC(=O)Nc1ccc(/C=C/C(=O)NCc2cccn2-c2ccc(NC(C)=O)c(COc3cccc4ccc(C)nc34)c2NC(C)=O)cn1 |
InChIKey | MYROTHAHAMWEBP-SFQUDFHCSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 645.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 9.25 | 9.25 | 9.25 | ChEMBL |
B2 | BKRB2 | Human | Bradykinin | A | pIC50 | 9.43 | 9.43 | 9.43 | ChEMBL |