IRAK3 PROTAC 23   Click here for help

GtoPdb Ligand ID: 11785

Synonyms: compound 23 [PMID: 32803978]
Compound class: Synthetic organic
Comment: This molecule is aproteolysis-targeting chimera (PROTAC) degrader of interleukin 1 receptor associated kinase 3 (IRAK3) [1]. It promotes ternary complex formation between IRAK3 and the cereblon (CRBN) E3 ubiquitin ligase. IRAK3 is a regulatory protein that suppresses proinflammatory signalling in monocytes, macrophages, and neutrophils. Blocking IRAK3's immunosuppressive function is being investigated as an anti-tumour mechanism [2].
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2D Structure
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Canonical SMILES O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)ccc(c2)N1CCN(CC1)CCC1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)[C@@H]1CC[C@@H](CC1)Nc1ncnn2c1c(cc2)C(C)C
Isomeric SMILES CC(c1c2n(ncnc2N[C@H]2CC[C@H](CC2)N2CCN(CC2)C(=O)CCC(=O)N2CCC(CC2)CCN2CCN(CC2)c2cc3c(cc2)C(=O)N(C3=O)C2C(=O)NC(=O)CC2)cc1)C
InChI InChI=1S/C47H63N11O6/c1-31(2)36-16-20-57-43(36)44(48-30-49-57)50-33-3-5-34(6-4-33)53-25-27-56(28-26-53)42(61)12-11-41(60)55-18-14-32(15-19-55)13-17-52-21-23-54(24-22-52)35-7-8-37-38(29-35)47(64)58(46(37)63)39-9-10-40(59)51-45(39)62/h7-8,16,20,29-34,39H,3-6,9-15,17-19,21-28H2,1-2H3,(H,48,49,50)(H,51,59,62)/t33-,34+,39?
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
Synonyms Click here for help
compound 23 [PMID: 32803978]
Database Links Click here for help
GtoPdb PubChem SID 458923820
PubChem CID 162366970
Search Google for chemical match using the InChIKey ZUODKONSNNHSAJ-AMLBMYBGSA-N
Search Google for chemicals with the same backbone ZUODKONSNNHSAJ
UniChem Compound Search for chemical match using the InChIKey ZUODKONSNNHSAJ-AMLBMYBGSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZUODKONSNNHSAJ-AMLBMYBGSA-N