Drug Information

Drug General Information
Drug ID
D06FRZ
Former ID
DNC005379
Drug Name
15-ACETOXY-EREMANTHOLIDE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527285]
Structure
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2D MOL

3D MOL
Formula
C22H28O8
Canonical SMILES
CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)COC(=O)C<br />)C)C)O
InChI
1S/C22H28O8/c1-6-11(2)22(26)21(5)18-15(28-19(21)25)7-13(10-27-12(3)23)14-8-17(24)20(4,29-14)9-16(18)30-22/h7-8,11,15-16,18,26H,6,9-10H2,1-5H3/b13-7-/t11-,15-,16+,18?,20-,21-,22-/m1/s1
InChIKey
UNFGCPCUYMXWDG-MRPVOENGSA-N
PubChem Compound ID
44398297
Target and Pathway
Target(s) Nuclear factor NF-kappa-B Target Info Inhibitor [527285]
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 527285J Med Chem. 2004 Nov 18;47(24):6042-54.Quantitative structure-activity relationship of sesquiterpene lactones as inhibitors of the transcription factor NF-kappaB.
Ref 527285J Med Chem. 2004 Nov 18;47(24):6042-54.Quantitative structure-activity relationship of sesquiterpene lactones as inhibitors of the transcription factor NF-kappaB.

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