7-((1R,4R)-5-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzo[d]oxazol-2(3H)-one
SMILES | C1CC2=C(CC1CN3CC4CC3CN4C5=CC=CC6=C5OC(=O)N6)C7=C(N2)C=CC(=C7)F |
InChIKey | JDKQOFWWKCLDDD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
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 |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.74 | 5.74 | 5.74 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.78 | 6.78 | 6.78 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.85 | 7.88 | 7.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |