LWY713

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Ligands
LWY713

GtoPdb Ligand ID: 13116

Synonyms: compound 13ba [PMID: 38007910] | LWY-713

Compound class: Synthetic organic

Comment: LWY713 is a FLT3 PROTAC degrader [1]. It combines a gilteritinib warhead to bind FLT3 with a lenalidomide-based cereblon E3 ubiquitin ligase bait ligand. It effectively induces FLT3 proteasomal degradation, inhibits FLT3 signalling and reduces proliferation in appropriate cellular assays. LWY713 is active in MV4-11 (FLT3-activated cells) xenograft models.

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	18
Hydrogen bond donors	4
Rotatable bonds	14
Topological polar surface area	212.83
Molecular weight	838.95
XLogP	-0.25
No. Lipinski's rules broken	3

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	CCC1=NC(=C(NC2=CC=C(C(=C2)OC)N3CCC(CC3)N4CCN(CC4)C(=O)COC5=C6CN(C7CCC(=O)NC7=O)C(=O)C6=CC=C5)N=C1NC8CCOCC8)C(=O)N
Isomeric SMILES	CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C(=O)COC5=CC=CC6=C5CN(C6=O)C7CCC(=O)NC7=O)OC)NC8CCOCC8
InChI	InChI=1S/C43H54N10O8/c1-3-31-40(45-26-13-21-60-22-14-26)49-41(38(47-31)39(44)56)46-27-7-8-32(35(23-27)59-2)51-15-11-28(12-16-51)50-17-19-52(20-18-50)37(55)25-61-34-6-4-5-29-30(34)24-53(43(29)58)33-9-10-36(54)48-42(33)57/h4-8,23,26,28,33H,3,9-22,24-25H2,1-2H3,(H2,44,56)(H2,45,46,49)(H,48,54,57)
InChI Key	RVOJNJLWNBVPOR-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)