CHEMBL62624
SMILES | COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1 |
InChIKey | PGWQCIREQLHHHR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 471.1 |
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 | 5.35 | 5.35 | 5.35 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.71 | 6.85 | 6.98 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |