Structure

InChI Key CETWSOHVEGTIBR-FORAGAHYSA-N
Smiles CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
InChI
InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H33N3O7S2
Molecular Weight 455.6
AlogP 1.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 81.14
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Bioactivity

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT DailyMed
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
Protein: Synaptic vesicular amine transporter

Description: Synaptic vesicular amine transporter

Organism : Homo sapiens

Q05940 ENSG00000165646

Cross References

Resources Reference
ChEMBL CHEMBL1201178
FDA SRS SJT761GEGS
PharmGKB PA164748975
PubChem 11597697
SureChEMBL SCHEMBL678421