CHEMBL3139475
SMILES | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1OCCCCF)CC2 |
InChIKey | NIMQPLYMAJLLNI-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 359.2 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.48 | 7.49 | 7.49 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.34 | 6.61 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |