Drug Information

Drug General Information
Drug ID
D0M1YV
Former ID
DNC007377
Drug Name
ELAEOCARPENINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C16H19NO2
Canonical SMILES
CC1=C(C(=CC=C1)O)C(=O)C2=CCCN3C2CCC3
InChI
1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m1/s1
InChIKey
KNSLYJICIDVPEX-CYBMUJFWSA-N
PubChem Compound ID
16747727
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [1]
Delta-type opioid receptor Target Info Inhibitor [1]
Kappa-type opioid receptor Target Info Inhibitor [1]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080: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 releaseP00026: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
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 TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
REF 1Bioorg Med Chem Lett. 2010 Mar 1;20(5):1601-3. Epub 2010 Jan 22.Synthesis and evaluation of opioid receptor-binding affinity of elaeocarpenine and its analogs.

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