Drug General Information
Drug ID
D02ICX
Former ID
DNC006218
Drug Name
PYROVALERONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL

Formula
C16H24ClNO
Canonical SMILES
CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2
InChI
1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
SWUVZKWCOBGPTH-UHFFFAOYSA-N
CAS Number
CAS 3563-49-3
PubChem Compound ID
Target and Pathway
Target(s) Sodium-dependent noradrenaline transporter Target Info Inhibitor [2]
Sodium-dependent dopamine transporter Target Info Inhibitor [1]
Sodium-dependent serotonin transporter Target Info Inhibitor [2]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Adrenaline and noradrenaline biosynthesisP00001:Adrenaline and noradrenaline biosynthesis
Parkinson disease
Dopamine receptor mediated signaling pathwayP04373:5HT1 type receptor mediated signaling pathway
5HT2 type receptor mediated signaling pathway
5HT3 type receptor mediated signaling pathway
5HT4 type receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compoundsWP727:Monoamine Transport
Dopaminergic Neurogenesis
Parkinsons Disease Pathway
Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds
Neurotransmitter Clearance In The Synaptic CleftWP727:Monoamine Transport
SIDS Susceptibility Pathways
Synaptic Vesicle Pathway
Serotonin Transporter Activity
References
REF 1Bioorg Med Chem. 2009 Jun 1;17(11):3770-4. Epub 2009 May 3.A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone.
REF 2J Med Chem. 2006 Feb 23;49(4):1420-32.1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one (Pyrovalerone) analogues: a promising class of monoamine uptake inhibitors.

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