Drug Information

Drug General Information
Drug ID
D0R2VL
Former ID
DNC007882
Drug Name
6-(2-benzylisoindolin-5-yloxy)nicotinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529132]
Structure
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2D MOL

3D MOL
Formula
C21H19N3O2
Canonical SMILES
C1C2=C(CN1CC3=CC=CC=C3)C=C(C=C2)OC4=NC=C(C=C4)C(=O)N
InChI
1S/C21H19N3O2/c22-21(25)16-7-9-20(23-11-16)26-19-8-6-17-13-24(14-18(17)10-19)12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H2,22,25)
InChIKey
GGVSFVBTUMOASO-UHFFFAOYSA-N
PubChem Compound ID
44434060
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529132]
KEGG Pathway 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
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
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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