Drug General Information
Drug ID
D0B5RX
Former ID
DNC014102
Drug Name
(E)-1-Adamantan-1-yl-3-quinolin-3-yl-propenone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530245]
Structure
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2D MOL

3D MOL

Formula
C22H23NO
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC5=CC=CC=C5N=C4
InChI
1S/C22H23NO/c24-21(22-11-16-7-17(12-22)9-18(8-16)13-22)6-5-15-10-19-3-1-2-4-20(19)23-14-15/h1-6,10,14,16-18H,7-9,11-13H2/b6-5+
InChIKey
IHMKNCCPYWKVEH-AATRIKPKSA-N
PubChem Compound ID
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Inhibitor [530245]
Metabotropicglutamate receptor 1 Target Info Inhibitor [530245]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Long-term potentiation
Retrograde endocannabinoid signaling
Glutamatergic synapse
Huntington's diseasehsa04020:Calcium signaling pathway
FoxO signaling pathway
Long-term depression
Estrogen signaling pathway
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 signalingP00027:Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Endogenous cannabinoid signaling
Reactome G alpha (q) signalling events
Class C/3 (Metabotropic glutamate/pheromone receptors)R-HSA-416476: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 signalingWP666:Hypothetical Network for Drug Addiction
GPCR downstream signaling
GPCRs, Other
References
Ref 530245Bioorg Med Chem. 2009 Aug 1;17(15):5708-15. Epub 2009 Jun 23.Synergism of virtual screening and medicinal chemistry: identification and optimization of allosteric antagonists of metabotropic glutamate receptor 1.
Ref 530245Bioorg Med Chem. 2009 Aug 1;17(15):5708-15. Epub 2009 Jun 23.Synergism of virtual screening and medicinal chemistry: identification and optimization of allosteric antagonists of metabotropic glutamate receptor 1.

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