Drug Information

Drug General Information
Drug ID
D0SC3W
Former ID
DNC006048
Drug Name
Bis-((-)-N-propargylmorphinan-3-yl) sebacoylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527951]
Structure
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2D MOL

3D MOL
Formula
C48H60N2O4
Canonical SMILES
C#CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC(=O)CCCCCCCCC(=O)OC<br />5=CC6=C(CC7C8C6(CCCC8)CCN7CC#C)C=C5
InChI
1S/C48H60N2O4/c1-3-27-49-29-25-47-23-13-11-15-39(47)43(49)31-35-19-21-37(33-41(35)47)53-45(51)17-9-7-5-6-8-10-18-46(52)54-38-22-20-36-32-44-40-16-12-14-24-48(40,42(36)34-38)26-30-50(44)28-4-2/h1-2,19-22,33-34,39-40,43-44H,5-18,23-32H2/t39?,40?,43-,44-,47-,48-/m1/s1
InChIKey
CMJNSGDVJLNRPB-TXEWOLIYSA-N
PubChem Compound ID
44406704
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [527951]
Kappa-type opioid receptor Target Info Inhibitor [527951]
Mu-type opioid receptor Target Info Inhibitor [527951]
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 527951J Med Chem. 2006 Jan 12;49(1):256-62.Synthesis and preliminary in vitro investigation of bivalent ligands containing homo- and heterodimeric pharmacophores at mu, delta, and kappa opioid receptors.
Ref 527951J Med Chem. 2006 Jan 12;49(1):256-62.Synthesis and preliminary in vitro investigation of bivalent ligands containing homo- and heterodimeric pharmacophores at mu, delta, and kappa opioid receptors.

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