CHEMBL403434
| SMILES | C[C@@H](NC(=O)C1(NC(=O)c2cc(C3CC3)on2)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F |
| InChIKey | TUIWHXCJRKRVNE-GFCCVEGCSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 582.1 |
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 |
| B1 | BKRB1 | Human | Bradykinin | A | pKi | 8.59 | 8.59 | 8.59 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |