Structure

InChI Key OGQDIIKRQRZXJH-UHFFFAOYSA-N
Smiles CNCCCC1c2ccccc2C=Cc2ccccc21.Cl
InChI
InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClN
Molecular Weight 299.85
AlogP 4.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR PubMed

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
ChEBI 8598
ChEMBL CHEMBL1200332
FDA SRS 44665V00O8
Guide to Pharmacology 7285
KEGG C07408
PubChem 14667
SureChEMBL SCHEMBL119341
ZINC ZINC01530764