CHEMBL315564
SMILES | COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](C)O1 |
InChIKey | XHTCEJWQQIHAOR-UZLBHIALSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 443.1 |
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 |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.46 | 5.89 | 6.32 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.48 | 6.01 | 6.54 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.0 | 5.3 | 5.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.68 | 5.12 | 5.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |