Drug General Information
Drug ID
D0R4QF
Former ID
DNC005338
Drug Name
HERKINORIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529401]
Structure
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2D MOL

3D MOL

Formula
C28H30O8
Canonical SMILES
CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)OC(=O)C4=CC=CC=<br />C4)C)C5=COC=C5
InChI
1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
InChIKey
PYDQMXRFUVDCHC-XAGHGKQISA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529401]
Kappa-type opioid receptor Target Info Inhibitor [529401]
Delta-type opioid receptor Target Info Inhibitor [529401]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04080:Neuroactive ligand-receptor interactionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin 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 529401J Med Chem. 2008 Apr 24;51(8):2421-31. Epub 2008 Apr 2.Herkinorin analogues with differential beta-arrestin-2 interactions.
Ref 529401J Med Chem. 2008 Apr 24;51(8):2421-31. Epub 2008 Apr 2.Herkinorin analogues with differential beta-arrestin-2 interactions.

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