CHEMBL2206265
SMILES | CCCN(CCCCCCCCCCN(CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 |
InChIKey | SQYZBSPQNGOKJY-ACHIHNKUSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 17 |
Molecular weight (Da) | 548.4 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 9.03 | 9.03 | 9.03 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 9.36 | 9.36 | 9.36 | ChEMBL |