CHEMBL3139455
SMILES | Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1I)CC2 |
InChIKey | PNYXLKQFWMPYSH-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 395.0 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.36 | 6.37 | 6.38 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.78 | 7.94 | 9.79 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.75 | 8.77 | 8.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |