Drug General Information
Drug ID
D0K7KM
Former ID
DNC005001
Drug Name
3-Phenyl-1-(2-methylthiazol-4-ylethynyl)benzene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530140]
Structure
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2D MOL

3D MOL

Formula
C18H13NS
Canonical SMILES
CC1=NC(=CS1)C#CC2=CC(=CC=C2)C3=CC=CC=C3
InChI
1S/C18H13NS/c1-14-19-18(13-20-14)11-10-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-9,12-13H,1H3
InChIKey
JWWDWRFQBGXCEK-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Inhibitor [530140]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Long-term potentiation
Retrograde endocannabinoid signaling
Glutamatergic synapse
Huntington's disease
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Metabotropic glutamate receptor group III pathway
Metabotropic glutamate receptor group I pathway
Endogenous cannabinoid signaling
Reactome G alpha (q) signalling events
Class C/3 (Metabotropic glutamate/pheromone receptors)
WikiPathways Hypothetical Network for Drug Addiction
GPCRs, Class C Metabotropic glutamate, pheromone
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 530140J Med Chem. 2009 Jun 11;52(11):3563-75.Structure-activity relationships comparing N-(6-methylpyridin-yl)-substituted aryl amides to 2-methyl-6-(substituted-arylethynyl)pyridines or 2-methyl-4-(substituted-arylethynyl)thiazoles as novel metabotropic glutamate receptor subtype 5 antagonists.
Ref 530140J Med Chem. 2009 Jun 11;52(11):3563-75.Structure-activity relationships comparing N-(6-methylpyridin-yl)-substituted aryl amides to 2-methyl-6-(substituted-arylethynyl)pyridines or 2-methyl-4-(substituted-arylethynyl)thiazoles as novel metabotropic glutamate receptor subtype 5 antagonists.

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