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]
Structure		Download 2D MOL 3D MOL
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 530728	J Med Chem. 2010 Mar 11;53(5):2204-14.Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.
Ref 530728	J Med Chem. 2010 Mar 11;53(5):2204-14.Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.