Synonyms
Status
Molecule Category Salt-form
UNII YYI1A8W4TQ
EPA CompTox DTXSID90215080

Structure

InChI Key OFCJKOOVFDGTLY-QRPNPIFTSA-N
Smiles C[C@H](N)Cc1ccccc1.O=C(O)CCCCC(=O)O
InChI
InChI=1S/C9H13N.C6H10O4/c1-8(10)7-9-5-3-2-4-6-9;7-5(8)3-1-2-4-6(9)10/h2-6,8H,7,10H2,1H3;1-4H2,(H,7,8)(H,9,10)/t8-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO4
Molecular Weight 281.35
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

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter releasing agent RELEASING AGENT PubMed PubMed PubMed

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
Protein: Synaptic vesicular amine transporter

Description: Synaptic vesicular amine transporter

Organism : Homo sapiens

Q05940 ENSG00000165646

Cross References

Resources Reference
ChEMBL CHEMBL1200782
FDA SRS YYI1A8W4TQ
PubChem 49800024
SureChEMBL SCHEMBL11760798