Chembl228280
Chemical Properties
| SMILES | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F |
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight | 506.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | LVDRNYWTLKUNNT-OYRHEFFESA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |