Drug Information

Drug General Information
Drug ID
D01MAN
Former ID
DNC014347
Drug Name
2-Benzoxy-5-(2-methylquinolin-7-yl)benzonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530843]
Structure
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2D MOL

3D MOL
Formula
C24H18N2O
Canonical SMILES
CC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C#N
InChI
1S/C24H18N2O/c1-17-7-8-19-9-10-21(14-23(19)26-17)20-11-12-24(22(13-20)15-25)27-16-18-5-3-2-4-6-18/h2-14H,16H2,1H3
InChIKey
INOCIGKWKFGOCI-UHFFFAOYSA-N
PubChem Compound ID
46888005
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Inhibitor [530843]
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 530843Bioorg Med Chem. 2010 May 1;18(9):3026-35. Epub 2010 Mar 27.Structure-activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5.
Ref 530843Bioorg Med Chem. 2010 May 1;18(9):3026-35. Epub 2010 Mar 27.Structure-activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5.

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