(R)-NFPS   Click here for help

GtoPdb Ligand ID: 4618

Synonyms: (+)-NFPS | ALX 5407 | ALX5407
Compound class: Synthetic organic
Comment: This compound is a selective non-transportable GlyT1 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 49.77
Molecular weight 393.17
XLogP 5.44
No. Lipinski's rules broken 1
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Canonical SMILES CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1
Isomeric SMILES CN(CC(=O)O)CC[C@H](c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1
InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GlyT1 Hs Inhibitor Inhibition 8.5 – 9.1 pIC50 - 1
pIC50 8.5 – 9.1 (IC50 3x10-9 – 8x10-10 M) [1]