Structure

InChI Key XNCDYJFPRPDERF-NQQJLSKUSA-N
Smiles CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.Cl
InChI
InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23ClN2O
Molecular Weight 282.81
AlogP 1.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed

Target Conservation

Protein: Norepinephrine transporter

Description: Sodium-dependent noradrenaline transporter

Organism : Homo sapiens

P23975 ENSG00000103546
Protein: Serotonin transporter

Description: Sodium-dependent serotonin transporter

Organism : Homo sapiens

P31645 ENSG00000108576

Cross References

Resources Reference
ChEMBL CHEMBL2105732
FDA SRS 371U2ZK31U
KEGG D10072
PubChem 6917778
SureChEMBL SCHEMBL1148742
ZINC ZINC00000506