CHEMBL399195
SMILES | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 |
InChIKey | MMNXGMKPQQFESW-OYRHEFFESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 475.2 |
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 | 6.99 | 6.99 | 6.99 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |