Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05HSW
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| Former ID |
DNC004516
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| Drug Name |
EMBELIN
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| Synonyms |
EMBELIN; 550-24-3; Embelic acid; Emberine; 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-p-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; UNII-SHC6U8F5ER; CHEBI:4778; Embelin, Embelia ribes; C17H26O4; NSC91874; XIAP inhibitor, Embelin; EINECS 208-979-8; NSC 91874; SHC6U8F5ER; BRN 1885786; Apoptosis Activator III, Embelin; AK115155; p-Benzoquinone, 2,5-dihydroxy-3-undecyl-; SR-01000597536; Spectrum_001513; Tocris-2156; SpecPlus_000501
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C17H26O4
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| Canonical SMILES |
CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
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| 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
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| InChIKey |
IRSFLDGTOHBADP-UHFFFAOYSA-N
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| CAS Number |
CAS 550-24-3
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:4778
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | XIAP messenger RNA (XIAP mRNA) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XIAP through structure-based computational screening of a traditional... J Med Chem. 2004 May 6;47(10):2430-40. | |||
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