filorexant   Click here for help

GtoPdb Ligand ID: 4460

Synonyms: MK 6096 | MK-6096 | MK6096
PDB Ligand
Compound class: Synthetic organic
Comment: Filorexant is a dual orexin receptor antagonist (DORA) [4]. The compound was being developed by Merck Sharp & Dohme Corp. as a potential treatment for insomnia.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 68.21
Molecular weight 420.2
XLogP 4.3
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc(c(c1)C(=O)N1CC(CCC1C)COc1ccc(cn1)F)c1ncccn1
Isomeric SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1
InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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Summary of Clinical Use Click here for help
Filorexant (MK-6096) has completed Phase 2 clinical trials for insomnia, painful diabetic neuropathy and migraine headache. A P{hase 2 study in subjects with recurrent major depressive disorder with incomplete complete response to antidepressant treatment was terminated. Development has not progressed.