CHEMBL113502
SMILES | CCNC(=O)NCC(=O)N(C)c1ccc(OC)c(COc2cccc3ccc(C)nc23)c1C#N |
InChIKey | GSMWKYQZPCPTFR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 461.2 |
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 |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 7.27 | 7.27 | 7.27 | ChEMBL |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |