Drug General Information
Drug ID
D08ORS
Former ID
DNC012118
Drug Name
6-(Allyl-methyl-amino)-4,4-diphenyl-heptan-3-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533539]
Structure
Download
2D MOL

3D MOL

Formula
C23H31NO
Canonical SMILES
CCC(C(CC(C)N(C)CC=C)(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
1S/C23H31NO/c1-5-17-24(4)19(3)18-23(22(25)6-2,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,19,22,25H,1,6,17-18H2,2-4H3
InChIKey
HXWBPTAZQDKQKI-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [533539]
Kappa-type opioid receptor Target Info Inhibitor [533539]
Mu-type opioid receptor Target Info Inhibitor [533539]
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 533539J Med Chem. 1981 Jul;24(7):903-6.Synthesis of analogues of acetylmethadol and methadol as potential narcotic antagonists.
Ref 533539J Med Chem. 1981 Jul;24(7):903-6.Synthesis of analogues of acetylmethadol and methadol as potential narcotic antagonists.

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