DIETHYLPROPION HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 19V2PL39NG
EPA CompTox DTXSID4047838

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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Bioactivity

Mechanism of Action Action Reference
Dopamine transporter inhibitor INHIBITOR ISBN PubMed PubMed DailyMed
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
Assay Description Organism Bioactivity Reference
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 5.79 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 11.15 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.06 %

Cross References

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