Drug Information

Drug General Information
Drug ID
D0H0KP
Former ID
DNC007806
Drug Name
6-(4-(3-(benzylamino)propyl)phenoxy)nicotinamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C22H23N3O2
Canonical SMILES
C1=CC=C(C=C1)CNCCCC2=CC=C(C=C2)OC3=NC=C(C=C3)C(=O)N
InChI
1S/C22H23N3O2/c23-22(26)19-10-13-21(25-16-19)27-20-11-8-17(9-12-20)7-4-14-24-15-18-5-2-1-3-6-18/h1-3,5-6,8-13,16,24H,4,7,14-15H2,(H2,23,26)
InChIKey
FZBJOVYOONJNIG-UHFFFAOYSA-N
PubChem Compound ID
44434946
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [1]
Kappa-type opioid receptor Target Info Inhibitor [1]
Mu-type opioid receptor Target Info Inhibitor [1]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080: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
Opioid prodynorphin 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 1Bioorg 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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