Drug General Information
Drug ID
D0YU5H
Former ID
DNC007805
Drug Name
6-(4-((benzylamino)methyl)phenoxy)nicotinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528996]
Structure
Download
2D MOL

3D MOL

Formula
C20H19N3O2
Canonical SMILES
C1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC3=NC=C(C=C3)C(=O)N
InChI
1S/C20H19N3O2/c21-20(24)17-8-11-19(23-14-17)25-18-9-6-16(7-10-18)13-22-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2,(H2,21,24)
InChIKey
LUBVSQAMVPXMBJ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528996]
Delta-type opioid receptor Target Info Inhibitor [528996]
Mu-type opioid receptor Target Info Inhibitor [528996]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04022: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
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs 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 signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528996Bioorg Med Chem Lett. 2007 Oct 1;17(19):5349-52. Epub 2007 Aug 11.Structure-activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 1.
Ref 528996Bioorg Med Chem Lett. 2007 Oct 1;17(19):5349-52. Epub 2007 Aug 11.Structure-activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 1.

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