FzM1   Click here for help

GtoPdb Ligand ID: 10322

Compound class: Synthetic organic
Comment: FzM1 is a negative allosteric modulator of FZD4 [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 360.09
XLogP 4.34
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1
Isomeric SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1
InChI InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25)
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]