CHEMBL1928119
SMILES | CCOCCOc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 |
InChIKey | BBDKMDPFSHNKJZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 441.3 |
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 | 7.89 | 7.89 | 7.89 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.57 | 6.71 | 6.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |