Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E8NP
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| Former ID |
DNCL003449
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| Drug Name |
Birinapant
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| Synonyms |
Birinapant; 1260251-31-7; Birinapant (TL32711); TL-32711; UNII-6O4Z07B57R; TL 32711; 6O4Z07B57R; (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
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| Drug Type |
Small molecular drug
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| Indication | Lymphoma [ICD-11: 2A80-2A86; ICD-9: 202.8, 208.9] | Phase 2 | [1], [2] | |
| Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Phase 1/2 | [3] | ||
| Company |
TetraLogic Pharmaceuticals
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| Structure |
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Download2D MOL |
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| Formula |
C42H56F2N8O6
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| Canonical SMILES |
CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC
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| InChI |
1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1
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| InChIKey |
PKWRMUKBEYJEIX-DXXQBUJASA-N
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| CAS Number |
CAS 1260251-31-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7432). | |||
| REF 2 | ClinicalTrials.gov (NCT02147873) Study of Azacitidine With or Without Birinapant in Subjects With MDS or CMMoL. U.S. National Institutes of Health. | |||
| REF 3 | Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50. | |||
| REF 4 | cIAPs and XIAP regulate myelopoiesis through cytokine production in an RIPK1- and RIPK3-dependent manner. Blood. 2014 Apr 17;123(16):2562-72. | |||
| REF 5 | Birinapant (TL32711), a bivalent SMAC mimetic, targets TRAF2-associated cIAPs, abrogates TNF-induced NF- B activation, and is active in patient-derived xenograft models. Mol Cancer Ther. 2014 Apr;13(4):867-79. | |||
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