Drug General Information
Drug ID
D04VJE
Former ID
DNC007881
Drug Name
6-(2-phenethylisoindolin-5-yloxy)nicotinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529132]
Structure
Download
2D MOL

3D MOL

Formula
C22H21N3O2
Canonical SMILES
C1C2=C(CN1CCC3=CC=CC=C3)C=C(C=C2)OC4=NC=C(C=C4)C(=O)N
InChI
1S/C22H21N3O2/c23-22(26)17-7-9-21(24-13-17)27-20-8-6-18-14-25(15-19(18)12-20)11-10-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H2,23,26)
InChIKey
ACAQNMZIFFSQCU-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [529132]
Mu-type opioid receptor Target Info Inhibitor [529132]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 529132Bioorg Med Chem Lett. 2007 Dec 15;17(24):6841-6. Epub 2007 Oct 17.Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2.
Ref 529132Bioorg Med Chem Lett. 2007 Dec 15;17(24):6841-6. Epub 2007 Oct 17.Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2.

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