Drug Information

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]
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 527719Bioorg 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 527719Bioorg 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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