CHEMBL332132
| SMILES | N#CN/C(=N\c1ccc2c(c1)N(c1nc(-c3ccc(OC(F)(F)F)cc3)cs1)CC2)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 |
| InChIKey | KIXNFVIBTBUZLQ-YTTGMZPUSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 684.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |