Drug Information

Drug General Information
Drug ID
D05ZIH
Former ID
DNC009906
Drug Name
6beta-naltrexol HCl
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C20H26ClNO4
Canonical SMILES
C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
InChI
1S/C20H25NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,14-15,18,22-24H,1-2,5-10H2;1H/t14-,15-,18+,19+,20-;/m1./s1
InChIKey
FSQFFCPJTDFOAN-CDHBEYIESA-N
PubChem Compound ID
45110000
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [1]
Delta-type opioid receptor Target Info Inhibitor [1]
Mu-type opioid receptor Target Info Inhibitor [1]
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 1Bioorg Med Chem Lett. 2009 May 15;19(10):2811-4. Epub 2009 Mar 26.Design, synthesis, and characterization of 6beta-naltrexol analogs, and their selectivity for in vitro opioid receptor subtypes.

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