Drug Information

Drug General Information
Drug ID
D0V4PJ
Former ID
DNC006372
Drug Name
9alpha-acetoxy-miller-1(10)Z-enolide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528110]
Structure
Download
2D MOL

3D MOL
Formula
C21H24O8
Canonical SMILES
CC(=C)C(=O)OC1C2C(C(C(=C)CCC=C(C1OC(=O)C)C=O)O)OC(=O)C2<br />=C
InChI
1S/C21H24O8/c1-10(2)20(25)29-19-15-12(4)21(26)28-18(15)16(24)11(3)7-6-8-14(9-22)17(19)27-13(5)23/h8-9,15-19,24H,1,3-4,6-7H2,2,5H3/b14-8-/t15-,16-,17-,18-,19-/m0/s1
InChIKey
QCTYKEDNIPKZDW-QHWUSFJTSA-N
PubChem Compound ID
44398369
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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