Drug General Information
Drug ID	D0J0MX
Former ID	DNC005847
Drug Name	1,4-diphenyl-(1E,3E)-1,3-butadiene
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527719]
Structure		Download 2D MOL 3D MOL
Formula	C16H14
Canonical SMILES	C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2
InChI	1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
InChIKey	JFLKFZNIIQFQBS-FNCQTZNRSA-N
PubChem Compound ID	641683
Target and Pathway
Target(s)	Amine oxidase [flavin-containing] B	Target Info	Inhibitor	[527719]
BioCyc Pathway	Superpathway of tryptophan utilization
	Tryptophan degradation via tryptamine
	Dopamine degradation
	Putrescine degradation III
	Noradrenaline and adrenaline degradation
KEGG Pathway	Glycine, serine and threonine metabolism
	Arginine and proline metabolism
	Histidine metabolism
	Tyrosine metabolism
	Phenylalanine metabolism
	Tryptophan metabolism
	Drug metabolism - cytochrome P450
	Metabolic pathways
	Serotonergic synapse
	Dopaminergic synapse
	Cocaine addiction
	Amphetamine addiction
	Alcoholism
PANTHER Pathway	Adrenaline and noradrenaline biosynthesis
	5-Hydroxytryptamine degredation
	Dopamine receptor mediated signaling pathway
Pathway Interaction Database	Alpha-synuclein signaling
WikiPathways	Tryptophan metabolism
	Dopamine metabolism
	Phase 1 - Functionalization of compounds
References
Ref 527719	Bioorg Med Chem Lett. 2005 Oct 15;15(20):4438-46.Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds.
Ref 527719	Bioorg Med Chem Lett. 2005 Oct 15;15(20):4438-46.Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds.

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