Drug Information

Drug General Information
Drug ID
D0I2JX
Former ID
DNC013351
Drug Name
3-isobutoxy-5-(2-methylquinolin-7-yl)benzonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528922]
Structure
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2D MOL

3D MOL
Formula
C21H20N2O
Canonical SMILES
CC1=NC2=C(C=C1)C=CC(=C2)C3=CC(=CC(=C3)C#N)OCC(C)C
InChI
1S/C21H20N2O/c1-14(2)13-24-20-9-16(12-22)8-19(10-20)18-7-6-17-5-4-15(3)23-21(17)11-18/h4-11,14H,13H2,1-3H3
InChIKey
HPDNDHJWHRZLDU-UHFFFAOYSA-N
PubChem Compound ID
44432689
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Inhibitor [528922]
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 528922Bioorg Med Chem Lett. 2007 Aug 15;17(16):4415-8. Epub 2007 Jun 10.Rational design of 7-arylquinolines as non-competitive metabotropic glutamate receptor subtype 5 antagonists.
Ref 528922Bioorg Med Chem Lett. 2007 Aug 15;17(16):4415-8. Epub 2007 Jun 10.Rational design of 7-arylquinolines as non-competitive metabotropic glutamate receptor subtype 5 antagonists.

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