Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09BKS
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| Former ID |
DNC004501
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| Drug Name |
ARPFAQK-FAM
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| Synonyms |
CHEMBL441156
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C62H73N13O17
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| Canonical SMILES |
CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCNC(=O)C3=C(C=CC=C3C(=O)ON4C(=O)CCC4=O)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O)N
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| InChI |
1S/C62H73N13O17/c1-32(63)53(81)71-42(16-9-27-68-62(65)66)59(87)74-28-10-17-45(74)57(85)73-44(29-34-11-4-3-5-12-34)56(84)69-33(2)54(82)70-41(22-23-48(64)78)55(83)72-43(60(88)89)15-6-7-26-67-58(86)52-39(13-8-14-40(52)61(90)92-75-49(79)24-25-50(75)80)51-37-20-18-35(76)30-46(37)91-47-31-36(77)19-21-38(47)51/h3-5,8,11-14,18-21,30-33,41-45,76H,6-7,9-10,15-17,22-29,63H2,1-2H3,(H2,64,78)(H,67,86)(H,69,84)(H,70,82)(H,71,81)(H,72,83)(H,73,85)(H,88,89)(H4,65,66,68)/t32-,33-,41-,42-,43-,44-,45-/m0/s1
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| InChIKey |
IVWCINIISIMQBR-IPQUOSPJSA-N
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| PubChem Compound ID | ||||
| 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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