Synonyms
Status
Molecule Category Free-form
ATC G04BX14
UNII GB2433A4M3
EPA CompTox DTXSID0057627

Structure

InChI Key USRHYDPUVLEVMC-FQEVSTJZSA-N
Smiles CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1
InChI
InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23NO
Molecular Weight 305.42
AlogP 4.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PMC

Target Conservation

Protein: Serotonin transporter

Description: Sodium-dependent serotonin transporter

Organism : Homo sapiens

P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 135962
ChEMBL CHEMBL2110900
DrugBank DB04884
DrugCentral 4381
FDA SRS GB2433A4M3
Guide to Pharmacology 7901
PharmGKB PA166151992
PubChem 71353
SureChEMBL SCHEMBL34479
ZINC ZINC000001482019