Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E7NV
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| Former ID |
DNC004508
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| Drug Name |
AVPIAQKSEK-FAM
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| Synonyms |
CHEMBL404788; AVPIAQKSEK-FAM
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C72H96N14O23
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| Canonical SMILES |
CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCNC(=O)C1=C(C=CC=C1C(=O)ON2C(=O)CCC2=O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)C(C)N
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| InChI |
1S/C72H96N14O23/c1-7-36(4)60(84-67(101)50-18-13-31-85(50)70(104)59(35(2)3)83-61(95)37(5)74)69(103)77-38(6)62(96)78-46(23-25-53(75)90)64(98)79-45(16-8-10-29-73)63(97)82-49(34-87)66(100)80-47(24-28-56(93)94)65(99)81-48(71(105)106)17-9-11-30-76-68(102)58-43(14-12-15-44(58)72(107)109-86-54(91)26-27-55(86)92)57-41-21-19-39(88)32-51(41)108-52-33-40(89)20-22-42(52)57/h12,14-15,19-22,32-33,35-38,45-50,59-60,87-88H,7-11,13,16-18,23-31,34,73-74H2,1-6H3,(H2,75,90)(H,76,102)(H,77,103)(H,78,96)(H,79,98)(H,80,100)(H,81,99)(H,82,97)(H,83,95)(H,84,101)(H,93,94)(H,105,106)/t36-,37-,38-,45-,46-,47-,48-,49-,50-,59-,60-/m0/s1
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| InChIKey |
UIHIJARXXMWKOD-UVBGQCGDSA-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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