A77636
SMILES | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 |
InChIKey | QLJOSZATCBCBDR-DFKUFRTHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 329.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7CKX |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 4.96 | 4.96 | 4.96 | ChEMBL |