Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01JEH
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| Drug Name |
PMID25980951-Compound-29
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| Drug Type |
Small molecular drug
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| Company |
ENSEMBLE THERAPEUTICS CORPORATION
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| Structure |
 |
Download2D MOL |
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| Formula |
C80H96N16O14
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| Canonical SMILES |
CC(C(=O)NC(C(=O)N1CCC2C1C(=O)NC(C(=O)NC(CC3=CC=C(C=C3)OCC4=CN(C5CCN(C5C(=O)NC(C(=O)NC(CC6=CC=C(C=C6)OCC7=CN2N=N7)C(=O)O)CC8=CC9=CC=CC=C9C=C8)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)N=N4)C(=O)O)CC1=CC2=CC=CC=C2C=C1)C(C)(C)C)NC
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| InChI |
1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-33-31-63-65(93)73(101)83-59(39-49-19-25-51-15-11-13-17-53(51)35-49)71(99)85-61(77(105)106)37-47-23-29-58(30-24-47)110-44-56-42-96(92-90-56)64-32-34-94(76(104)68(80(6,7)8)88-70(98)46(2)82-10)66(64)74(102)84-60(40-50-20-26-52-16-12-14-18-54(52)36-50)72(100)86-62(78(107)108)38-48-21-27-57(28-22-48)109-43-55-41-95(63)91-89-55/h11-30,35-36,41-42,45-46,59-68,81-82H,31-34,37-40,43-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+/m0/s1
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| InChIKey |
MBKNBOLIPVRUSC-YZMHPAFASA-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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