Drug General Information
Drug ID
D0E4HB
Former ID
DNC011207
Drug Name
2-(2-cyclohexylidenehydrazinyl)-4-phenylthiazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551222]
Structure
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2D MOL

3D MOL

Formula
C15H17N3S
Canonical SMILES
C1CCC(=NNC2=NC(=CS2)C3=CC=CC=C3)CC1
InChI
1S/C15H17N3S/c1-3-7-12(8-4-1)14-11-19-15(16-14)18-17-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,18)
InChIKey
RQMWJSWLKXHIEZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Amine oxidase [flavin-containing] B Target Info Inhibitor [551222]
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 551222Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. Bioorg Med Chem. 2010 Jul 15;18(14):5063-70. doi: 10.1016/j.bmc.2010.05.070. Epub 2010 Jun 1.
Ref 551222Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. Bioorg Med Chem. 2010 Jul 15;18(14):5063-70. doi: 10.1016/j.bmc.2010.05.070. Epub 2010 Jun 1.

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