Structure

InChI Key ICFXZZFWRWNZMA-UHFFFAOYSA-N
Smiles CCN(CC)C(C)C(=O)c1ccccc1.Cl
InChI
InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20ClNO
Molecular Weight 241.76
AlogP 2.6
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR ISBN PubMed PubMed DailyMed

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
ChEBI 643703
ChEMBL CHEMBL1693
FDA SRS 19V2PL39NG
PubChem 91442
SureChEMBL SCHEMBL15483