Drug General Information
Drug ID
D0P6FF
Former ID
DNC010082
Drug Name
N-Benzyl-17-(cyclobutylmethyl)morphinan-3-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530529]
Structure
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2D MOL

3D MOL

Formula
C28H36N2
Canonical SMILES
C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)NCC5=CC=CC=C5)CC6CCC6
InChI
1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1
InChIKey
WFGYABIAABXTFI-KJYTXNCISA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [530529]
Mu-type opioid receptor Target Info Inhibitor [530529]
Kappa-type opioid receptor Target Info Inhibitor [530529]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interaction
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
Enkephalin releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin 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 signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 530529J Med Chem. 2010 Jan 14;53(1):402-18.Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors.
Ref 530529J Med Chem. 2010 Jan 14;53(1):402-18.Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors.

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