NX-2127   Click here for help

GtoPdb Ligand ID: 12519

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: NX-2127 is an orally bioavailable protein degrader molecule. It reduces levels of both Bruton's tyrosine kinase (BTK) and the IKZF transcription factors Ikaros (IKZF1) and Aiolos (IKZF3) through targeted ubiquitination and proteasomal degradation. NX-2127 acts as a dual PROTAC (through recruitment of cereblon) and molecular glue (degradation of the neosubstrate transcription factors). It is predicted that this approach can achieve clinical efficacy, even in the presence of BTK mutations that confer resistance to clinically used kinase inhibitor drugs.
2D Structure
Click here for help
Click here for structure editor
Click here for help
Canonical SMILES C1CCN(CC1)C2=NC(=C(C(=O)N)N=C2)NC3=CC=C(C=C3)C4CCN(CC4)C[C@H]5CCN(C5)C6=CC=C7C(=C6)C(=O)N(C8CCC(=O)NC8=O)C7=O
Isomeric SMILES NC(=O)C1=C(NC2=CC=C(C=C2)C3CCN(C[C@H]4CCN(C4)C5=CC6=C(C=C5)C(=O)N(C7CCC(=O)NC7=O)C6=O)CC3)N=C(C=N1)N8CCCCC8
InChI InChI=1S/C39H45N9O5/c40-35(50)34-36(43-32(21-41-34)46-15-2-1-3-16-46)42-27-6-4-25(5-7-27)26-13-17-45(18-14-26)22-24-12-19-47(23-24)28-8-9-29-30(20-28)39(53)48(38(29)52)31-10-11-33(49)44-37(31)51/h4-9,20-21,24,26,31H,1-3,10-19,22-23H2,(H2,40,50)(H,42,43)(H,44,49,51)/t24-,31?/m1/s1
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 479821309
PubChem CID 167282486
Search Google for chemical match using the InChIKey XLWJWCMQMBVNSG-LZDHLTRGSA-N
Search Google for chemicals with the same backbone XLWJWCMQMBVNSG
UniChem Compound Search for chemical match using the InChIKey XLWJWCMQMBVNSG-LZDHLTRGSA-N
UniChem Connectivity Search for chemical match using the InChIKey XLWJWCMQMBVNSG-LZDHLTRGSA-N