Drug Information

Drug General Information
Drug ID
D02YXR
Former ID
DNC013084
Drug Name
MM3A6S
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528255]
Structure
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2D MOL

3D MOL
Formula
C20H23NO7S
Canonical SMILES
CC(=O)OC1=C2C3=C(CC4C5C3(CC[N+]4(C)C)C(O2)C(C=C5)OS(=O)<br />(=O)[O-])C=C1
InChI
1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
InChIKey
QNHZSCHPVZZALI-BKRJIHRRSA-N
PubChem Compound ID
10454860
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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