SL-176   Click here for help

GtoPdb Ligand ID: 11104

Synonyms: SL176
Compound class: Synthetic organic
Comment: SL-176 is a small molecule inhibitor of the metal-dependent Ser/Thr phosphatase PPM1D [1]. It decreases PPM1D enzyme activity in vitro. Exposure of breast cancer cells overexpressing PPM1D induces G2/M arrest and apoptosis. SL-176's antiproliferative effect is independent of TP53 status.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 55.76
Molecular weight 456.31
XLogP 6.92
No. Lipinski's rules broken 1
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Canonical SMILES CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC
Isomeric SMILES CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC
InChI InChI=1S/C24H48O4Si2/c1-10-30(11-2,12-3)28-21-15-13-14-20-19(21)16-18(17-24(20,7)22(25)26)27-29(8,9)23(4,5)6/h18-21H,10-17H2,1-9H3,(H,25,26)/t18-,19-,20+,21+,24+/m0/s1
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Molecular structure representations generated using Open Babel