CHEMBL3590083
SMILES | CCCN(CCCCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1 |
InChIKey | JZRSBDBOBRIPIA-ZQHSETAFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 432.2 |
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 | 7.4 | 7.4 | 7.4 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.4 | 7.66 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 6.94 | 7.45 | 7.96 | ChEMBL |