CHEMBL113471
SMILES | COc1c(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c2ccccc12 |
InChIKey | RJZYRNTXYJEPMD-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 466.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.68 | 5.72 | 5.77 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.21 | 6.25 | 6.3 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.12 | 6.24 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.55 | 5.64 | 5.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |