Structure

InChI Key VHKVKWTWHZUFIA-DGOKBZBKSA-N
Smiles C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C9H13N.C6H10O8/c1-8(10)7-9-5-3-2-4-6-9;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2-6,8H,7,10H2,1H3;1-4,7-10H,(H,11,12)(H,13,14)/t8-;1-,2-,3-,4+/m00/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO8
Molecular Weight 345.35
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 PubMed 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
Protein: Synaptic vesicular amine transporter

Description: Synaptic vesicular amine transporter

Organism : Homo sapiens

Q05940 ENSG00000165646

Cross References

Resources Reference
ChEMBL CHEMBL3989844
FDA SRS 283TUU52FG
PubChem 73415781
SureChEMBL SCHEMBL578987