CHEMBL228496
SMILES | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 |
InChIKey | RVPGPLCUKORXKA-BGYRXZFFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 562.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |