Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00VXV
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| Drug Name |
PMID25980951-Compound-40
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| Drug Type |
Small molecular drug
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| Company |
F. HOFFMANN-LA ROCHE AG HOFFMANN-LA ROCHE INC
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| Structure |
 |
Download2D MOL |
||
| Formula |
C60H70BrN9O8
|
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| Canonical SMILES |
CC(C(=O)NC1CN(C2=CC=CC=C2N(C1=O)CC3=C(C=CC4=C3C=CC(=C4)Br)OC)C(=O)C5=CC=C(C=C5)C(=O)NC6CC(N(C6)C(=O)C(C7CCCCC7)NC(=O)C(C)NC)C(=O)NC8CCCC9=CC=CC=C89)NC
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| InChI |
1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47+,48-,51-,53-/m0/s1
|
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| InChIKey |
OVCDDAXIBKWFRB-SFDZCEMOSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | X-linked inhibitor of apoptosis protein (XIAP) | Target Info | Antagonist | [1] |
| Target's Patent Info | X-linked inhibitor of apoptosis protein (XIAP) | Target's Patent Info | [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 | Small molecule inhibitor of apoptosis proteins antagonists: a patent review.Expert Opin Ther Pat. 2015 Jul;25(7):755-74. | |||
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