DD-03-171

Ligand id: 10535

Name: DD-03-171

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 5
Rotatable bonds 21
Topological polar surface area 224.25
Molecular weight 990.48
XLogP 7.17
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups PROTACs and molecular glues
IUPAC Name
4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
Comments
DD-03-171 is a cereblon (CRBN)-engaging degrader (or PROTAC; proteolysis targeting chimera) of BTK protein [1]. The BTK inhibitor portion of DD-03-171 is derived from CGI1746, and this is conjugated to thalidomide using a saturated hydrocarbon linker to create the hybrid molecule. DD-03-171 produces potent antiproliferative effects on lymphoma cells in vitro and on patient-derived xenografts in vivo. It is suggested that DD-03-171's mechanism of action may be able to overcome tumour resistance to ibrutinib therapy.
Database Links
GtoPdb PubChem SID 387065617
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