Structure

InChI Key VEPOHXYIFQMVHW-XOZOLZJESA-N
Smiles C[C@H]1[C@H](c2ccccc2)OCCN1C.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C12H17NO.C4H6O6/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,10,12H,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,12+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO7
Molecular Weight 341.36
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR PubMed FDA

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL2062163
FDA SRS 6985IP0T80
PubChem 120608