FzM1.8   Click here for help

GtoPdb Ligand ID: 10321

Compound class: Synthetic organic
Comment: FzM1.8 is a small-molecule allosteric agonist of FZD4 and activates the WNT/β-catenin pathway [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 98.66
Molecular weight 322.1
XLogP 2.96
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O
Isomeric SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O
InChI InChI=1S/C18H14N2O4/c21-16-9-13(17(22)23)8-15(10-16)20-18(24)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,21H,(H,22,23)(H2,19,20,24)
1. Generoso SF, Giustiniano M, La Regina G, Bottone S, Passacantilli S, Di Maro S, Cassese H, Bruno A, Mallardo M, Dentice M et al.. (2015)
Pharmacological folding chaperones act as allosteric ligands of Frizzled4.
Nat Chem Biol, 11 (4): 280-6. [PMID:25751279]
2. Riccio G, Bottone S, La Regina G, Badolati N, Passacantilli S, Rossi GB, Accardo A, Dentice M, Silvestri R, Novellino E et al.. (2018)
A Negative Allosteric Modulator of WNT Receptor Frizzled 4 Switches into an Allosteric Agonist.
Biochemistry, 57 (5): 839-851. [PMID:29293331]