CHEMBL1739787
SMILES | O=C(NC/C=C/CN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1 |
InChIKey | HFGAWEJFDVAEEA-ONEGZZNKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 479.2 |
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 | 6.74 | 6.74 | 6.74 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |