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Synonyms: compound 4 [Garnar-Wortzel et al., 2021]
Comment: SR-1114 is an ENL PROTAC degrader that was developed as part of the same study into ENL as an AML therapeutic target as the small molecule inhibitor SR-0813 [ 1]. Both SR-1114 and SR-0813 disrupt the transcriptional function of ENL. SR-1114 achieves this by directing ENL for cereblon-dependent degradation. SR-1114-induced ENL degradation is rapid, but reversible upon withdrawl of SR-1114, and leads to suppression of multiple ENL target genes ( e.g. HOXA10, MYC, MYB, FLT3, ZEB2, and SATB1).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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17
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Hydrogen bond donors
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5
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Rotatable bonds
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21
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Topological polar surface area
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253.32
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Molecular weight
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830.27
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XLogP
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1.97
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1
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Isomeric SMILES
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O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1
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InChI
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InChI=1S/C39H42N8O11S/c48-33-13-11-30(37(51)44-33)47-38(52)28-8-3-9-31(35(28)39(47)53)58-23-34(49)40-14-16-56-18-19-57-17-15-41-59(54,55)45-27-7-1-4-24(20-27)29-22-46-21-25(10-12-32(46)43-29)36(50)42-26-5-2-6-26/h1,3-4,7-10,12,20-22,26,30,41,45H,2,5-6,11,13-19,23H2,(H,40,49)(H,42,50)(H,44,48,51)
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InChI Key
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WPVVPCVQEBQVLL-UHFFFAOYSA-N
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