Drug Information

Drug General Information
Drug ID
D0O2LD
Former ID
DNC008419
Drug Name
THEBAINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528939]
Structure
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2D MOL

3D MOL
Formula
C19H21NO3
Canonical SMILES
CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC
InChI
1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
InChIKey
FQXXSQDCDRQNQE-VMDGZTHMSA-N
PubChem Compound ID
5324289
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528939]
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 528939J Biol Chem. 2007 Sep 14;282(37):27126-32. Epub 2007 Jul 6.Live cell monitoring of mu-opioid receptor-mediated G-protein activation reveals strong biological activity of close morphine biosynthetic precursors.
Ref 528939J Biol Chem. 2007 Sep 14;282(37):27126-32. Epub 2007 Jul 6.Live cell monitoring of mu-opioid receptor-mediated G-protein activation reveals strong biological activity of close morphine biosynthetic precursors.

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