Drug Information

Drug General Information
Drug ID
D05HSW
Former ID
DNC004516
Drug Name
EMBELIN
Drug Type
Small molecular drug
Indication Discovery agent Terminated [545718]
Structure
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2D MOL

3D MOL
Formula
C17H26O4
Canonical SMILES
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
InChI
1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey
IRSFLDGTOHBADP-UHFFFAOYSA-N
PubChem Compound ID
3218
Target and Pathway
Target(s) mRNA of Inhibitor of apoptosis protein Target Info Inhibitor [527061]
KEGG Pathway NF-kappa B signaling pathway
Ubiquitin mediated proteolysis
Apoptosis
Focal adhesion
Toxoplasmosis
HTLV-I infection
Pathways in cancer
Small cell lung cancer
PANTHER Pathway Apoptosis signaling pathway
Pathway Interaction Database p75(NTR)-mediated signaling
BMP receptor signaling
Caspase Cascade in Apoptosis
TGF-beta receptor signaling
Reactome SMAC binds to IAPs
SMAC-mediated dissociation of IAP:caspase complexes
Deactivation of the beta-catenin transactivating complex
RIPK1-mediated regulated necrosis
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB signaling pathway
Regulation of necroptotic cell death
WikiPathways Copper homeostasis
Focal Adhesion
Apoptosis
Intrinsic Pathway for Apoptosis
Apoptosis Modulation and Signaling
NOD pathway
References
Ref 545718Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004360)
Ref 527061J Med Chem. 2004 May 6;47(10):2430-40.Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database.

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