CHEMBL2062856
SMILES | CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]21 |
InChIKey | SHPCAECDGCBRNC-OYTPZHDJSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 442.2 |
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 | 5.16 | 5.16 | 5.16 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |