Drug General Information
Drug ID
D0D0XP
Former ID
DNC013086
Drug Name
C6S
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528255]
Structure
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2D MOL

3D MOL

Formula
C18H21NO6S
Canonical SMILES
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OS(=O)(=O)O
InChI
1S/C18H21NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17H,7-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
InChIKey
JIYGLXDCNSTUSY-XSSYPUMDSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528255]
KEGG Pathway 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
Pathway Interaction Database IL4-mediated signaling events
Reactome 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 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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