CHEMBL392066
SMILES | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 |
InChIKey | SHLHJQDYUNFBDK-HZCBDIJESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 505.2 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |