Drug Information

Drug General Information
Drug ID
D0R8EV
Former ID
DNC010131
Drug Name
2-(tert-butylamino)-1-(3-chlorophenyl)butan-1-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530728]
Formula
C14H20ClNO
Canonical SMILES
CCC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
InChI
1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
InChIKey
PGTPXIBBHIHMQS-UHFFFAOYSA-N
PubChem Compound ID
3027752
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [530728]
Sodium-dependent serotonin transporter Target Info Inhibitor [530728]
Sodium-dependent noradrenaline transporter Target Info Inhibitor [530728]
KEGG Pathway Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Amphetamine addiction
Alcoholismhsa04726:Serotonergic synapse
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway 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 pathwayP00001:Adrenaline and noradrenaline biosynthesis
Pathway Interaction Database Alpha-synuclein signaling
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-442660:Na+/Cl- dependent neurotransmitter transporters
WikiPathways Monoamine Transport
NRF2 pathway
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 ActivityWP727:Monoamine Transport
References
Ref 530728J Med Chem. 2010 Mar 11;53(5):2204-14.Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.
Ref 530728J Med Chem. 2010 Mar 11;53(5):2204-14.Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.