Drug General Information
Drug ID
D0H6AA
Former ID
DNC013076
Drug Name
M3Pr6S
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528255]
Structure
Download
2D MOL

3D MOL

Formula
C20H23NO7S
Canonical SMILES
CCC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)OS(=O)(=O)O<br />)C=C1
InChI
1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
InChIKey
LWKYBVFQVUJKDT-ILIJTDRLSA-N
PubChem Compound ID
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [528255]
Mu-type opioid receptor Target Info Inhibitor [528255]
KEGG Pathway 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
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
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 signaling
References
Ref 528255Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.
Ref 528255Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.

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