PARGYLINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C02KC01
UNII 9MV14S8G3E
EPA CompTox DTXSID3023423

Structure

InChI Key DPWPWRLQFGFJFI-UHFFFAOYSA-N
Smiles C#CCN(C)Cc1ccccc1
InChI
InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13N
Molecular Weight 159.23
AlogP 1.75
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 8.2-220 275.4 20.3-49.5 0.1-98.2
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- - - - 23-69.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 8.2-220 275.4 20.3-49.5 0.1-69.8
Mus musculus
- - - - 60
Rattus norvegicus
- 220 - - -

Cross References

Resources Reference
ChEBI 7930
ChEMBL CHEMBL673
DrugBank DB01626
DrugCentral 2065
FDA SRS 9MV14S8G3E
Human Metabolome Database HMDB0015563
Guide to Pharmacology 7262
KEGG C07414
PharmGKB PA450797
PubChem 4688
SureChEMBL SCHEMBL2045
ZINC ZINC000053084618
CONTENTS