CHEMBL4876260
SMILES | O=C(NCc1ccccc1CN1CCc2cc(O)c(O)cc2C1)c1cccc(Br)c1 |
InChIKey | PTUSEMHIKWRSIP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 466.1 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |