TEFLUDAZINE
SMILES | OCCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc32)CC1 |
InChIKey | JSBWGXQXCRYYTG-PZJWPPBQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 408.2 |
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 |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.8 | 7.8 | 7.8 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.15 | 9.34 | 9.52 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.77 | 9.0 | 9.22 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.8 | 7.87 | 8.0 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 7.72 | 7.72 | 7.72 | ChEMBL |