Structure

InChI Key SOFQDLYSFOWTJX-UHFFFAOYSA-N
Smiles CC(N)Cc1ccccc1.O=S(=O)(O)O
InChI
InChI=1S/C9H13N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15NO4S
Molecular Weight 233.29
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Bioactivity

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT KEGG PubMed PubMed
Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546
Protein: Dopamine transporter

Description: Sodium-dependent dopamine transporter

Organism : Homo sapiens

Q01959 ENSG00000142319
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 12200 -

Cross References

Resources Reference
ChEMBL CHEMBL501
FDA SRS 6DPV8NK46S
PubChem 6055
SureChEMBL SCHEMBL41203