Drug General Information
Drug ID
D0X5SZ
Former ID
DIB019499
Drug Name
compound 42
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528596], [541587]
Structure
Download
2D MOL
Formula
C14H13N3O3
InChI
InChI=1S/C14H13N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-4,6-7,9H,5H2,1H3,(H,17,19)(H,15,16,18)
InChIKey
ILTICRNSZLAODU-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Modulator (allosteric modulator) [528596]
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 528596Rational design, synthesis, and structure-activity relationship of benzoxazolones: new potent mglu5 receptor antagonists based on the fenobam structure. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1302-6.Epub 2006 Dec 15.
Ref 541587(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6446).
Ref 528596Rational design, synthesis, and structure-activity relationship of benzoxazolones: new potent mglu5 receptor antagonists based on the fenobam structure. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1302-6.Epub 2006 Dec 15.

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