CHEMBL220591
| SMILES | Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCCCN)CC5)CCCC4)c3Cl)c2n1 |
| InChIKey | MIBABLYTRRUIAX-MHZLTWQESA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 718.2 |
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 | Human | Bradykinin | A | pKi | 9.5 | 9.5 | 9.5 | ChEMBL |
| B2 | BKRB2 | Human | Bradykinin | A | pKd | 8.7 | 8.7 | 8.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |