Drug Information

Drug General Information
Drug ID
D0Q6YP
Former ID
DNC005393
Drug Name
HELENALIN
Drug Type
Small molecular drug
Indication Discovery agent Terminated [544640]
Structure
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2D MOL

3D MOL
Formula
C15H18O4
Canonical SMILES
CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2
InChI
1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
InChIKey
ZVLOPMNVFLSSAA-XEPQRQSNSA-N
PubChem Compound ID
23205
Target and Pathway
Target(s) Nuclear factor NF-kappa-B Target Info Inhibitor [527285]
Type-1 angiotensin II receptor Target Info Inhibitor [531262]
KEGG Pathway MAPK signaling pathway
NF-kappa B signaling pathway
Osteoclast differentiation
Legionellosis
HTLV-I infection
Epstein-Barr virus infection
Pathways in cancer
Viral carcinogenesishsa04020:Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Renin-angiotensin system
Renin secretion
NetPath Pathway IL5 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
B cell activation
Inflammation mediated by chemokine and cytokine signaling pathway
T cell activation
Toll receptor signaling pathwayP05911:Angiotensin II-stimulated signaling through G proteins and beta-arrestin
Pathway Interaction Database IL12-mediated signaling events
Alternative NF-kappaB pathwayarf6_traffickingpathway:Arf6 trafficking events
Arf6 signaling events
Angiopoietin receptor Tie2-mediated signaling
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Intracellular Signalling Through Adenosine Receptor A2b and AdenosinePW000563:Angiotensin Metabolism
Muscle/Heart Contraction
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 activationR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
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 pathwayWP554:ACE Inhibitor Pathway
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Allograft Rejection
GPCR ligand binding
GPCR downstream signaling
References
Ref 544640Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000398)
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 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

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