CHEMBL426863
SMILES | O=C(NCCCCN1CCN(c2cccc(F)c2F)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 |
InChIKey | DHFUVVTYPXJZAP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 503.3 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.92 | 7.19 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |