FX1   

GtoPdb Ligand ID: 9672

Compound class: Synthetic organic
Comment: FX1 is a potent and selective BCL6 inhibitor rationally designed to target BCL6-driven diffuse large B cell lymphoma [1]. FX1 inhibits binding of BCL6 corepressor proteins and formation of functional repression complexes at its endogenous target genes (BCL6 target genes include CD69, CXCR4, and CDKN1A loci).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 144.1
Molecular weight 369.98
XLogP -0.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCN1C(=S)SC(=C2C(=O)NC3C2C=C(Cl)C=C3)C1=O
Isomeric SMILES OC(=O)CCN1C(=S)S/C(=C/2\C(=O)NC3C2C=C(Cl)C=C3)/C1=O
InChI InChI=1S/C14H11ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,7-8H,3-4H2,(H,16,20)(H,18,19)/b11-10-
InChI Key NLLDCQPHRJHMSX-KHPPLWFESA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-{5-[(3Z)-5-chloro-2-oxo-2,3,3a,7a-tetrahydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Comments
FX1 is a potent and selective BCL6 inhibitor rationally designed to target BCL6-driven diffuse large B cell lymphoma [1]. FX1 inhibits binding of BCL6 corepressor proteins and formation of functional repression complexes at its endogenous target genes (BCL6 target genes include CD69, CXCR4, and CDKN1A loci).
Database Links
GtoPdb PubChem SID 348353631
PubChem CID 131801157
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