CHEMBL1928120
SMILES | CCOCCOc1cccc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)c1 |
InChIKey | GJEUOGHJJUBVHW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 455.3 |
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 |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.02 | 7.19 | 7.36 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |