Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G9CR
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| Drug Name |
PMID25980951-Compound-39
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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 |
C58H56Br2N8O8
|
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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)N6CC(C(=O)N(C7=CC=CC=C76)CC8=C(C=CC9=C8C=CC(=C9)Br)OC)NC(=O)C(C)NC)NC
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| InChI |
1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-13-9-7-11-47(49)65(57(45)73)29-43-41-23-21-39(59)27-37(41)19-25-51(43)75-5)55(71)35-15-17-36(18-16-35)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-12-8-10-14-50(48)68)30-44-42-24-22-40(60)28-38(42)20-26-52(44)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1
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| InChIKey |
PBGWEJJBQUBSJN-MLLHAFNLSA-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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