CHEMBL3895172
SMILES | O=C(CCOCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccc(C(F)(F)F)cc1 |
InChIKey | QTJOTCJDWHZQTO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 511.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |