Drug Information

Drug General Information
Drug ID
D0B7EP
Former ID
DNC006375
Drug Name
1beta-methoxy-miller-9Z-enolide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528110]
Structure
Download
2D MOL

3D MOL
Formula
C20H24O7
Canonical SMILES
CC(=C)C(=O)OC1C=C(C(CCC(=C)C(C2C1C(=C)C(=O)O2)O)OC)C=O
InChI
1S/C20H24O7/c1-10(2)19(23)26-15-8-13(9-21)14(25-5)7-6-11(3)17(22)18-16(15)12(4)20(24)27-18/h8-9,14-18,22H,1,3-4,6-7H2,2,5H3/b13-8+/t14-,15-,16-,17+,18+/m1/s1
InChIKey
JYJDQGQWAQKPAO-FLTPFCGOSA-N
PubChem Compound ID
44409505
Target and Pathway
Target(s) Nuclear factor NF-kappa-B Target Info Inhibitor [528110]
KEGG Pathway MAPK signaling pathway
NF-kappa B signaling pathway
Osteoclast differentiation
Legionellosis
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Viral carcinogenesis
NetPath Pathway IL5 Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
B cell activation
Inflammation mediated by chemokine and cytokine signaling pathway
T cell activation
Toll receptor signaling pathway
Pathway Interaction Database IL12-mediated signaling events
Alternative NF-kappaB pathway
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome RIP-mediated NFkB activation via ZBP1
DEx/H-box helicases activate type I IFN and inflammatory cytokines production
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Interleukin-1 processing
IKBKG deficiency causes anhidrotic ectodermal dysplasia with immunodeficiency (EDA-ID) (via TLR)
IkBA variant leads to EDA-ID
Dectin-1 mediated noncanonical NF-kB signaling
NIK-->noncanonical NF-kB signaling
TRAF6 mediated NF-kB activation
WikiPathways Toll-like receptor signaling pathway
DNA Damage Response (only ATM dependent)
SIDS Susceptibility Pathways
Nuclear Receptors Meta-Pathway
Cytosolic sensors of pathogen-associated DNA
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
EBV LMP1 signaling
TNF alpha Signaling Pathway
TSLP Signaling Pathway
Neural Crest Differentiation
TWEAK Signaling Pathway
RANKL/RANK Signaling Pathway
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
Interleukin-1 processing
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
Regulation of toll-like receptor signaling pathway
References
Ref 528110J Med Chem. 2006 Apr 6;49(7):2241-52.Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks.
Ref 528110J Med Chem. 2006 Apr 6;49(7):2241-52.Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks.

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