CHEMBL113222
SMILES | C=C/C=C/C(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl |
InChIKey | RGYRXPGQPRYXCH-WEVVVXLNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 489.1 |
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 | 8.51 | 8.51 | 8.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |