CHEMBL3335539
SMILES | COc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1 |
InChIKey | DFDOLOVKMMATDA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 311.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.78 | 4.78 | 4.78 | ChEMBL |