(2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-yl)methyl]-2,3-dihydro[1,4]dioxino[2,3-f]-quinoline
SMILES | CC1=NC2=C(C=C1)C3=C(C=C2)OCC(O3)CN4CCCN(CC4)C5=NC6=CC=CC=C6C=C5 |
InChIKey | KWZZWBAMWMYJDW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 440.2 |
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-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |