Structure

InChI Key SHIJTGJXUHTGGZ-RVXRQPKJSA-N
Smiles CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
InChI
InChI=1S/C19H20FNO3.CH4O3S/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-5(2,3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,2,3,4)/t14-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24FNO6S
Molecular Weight 425.48
AlogP 3.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 39.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Serotonin transporter

Description: Sodium-dependent serotonin transporter

Organism : Homo sapiens

P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 7936
ChEMBL CHEMBL1200609
FDA SRS M711N184JE
Guide to Pharmacology 4561
KEGG C07415
PDB 8PR
PubChem 9845306
SureChEMBL SCHEMBL143905
ZINC ZINC00527386