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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9671 filorexant
Synonyms Click here for help
MK 6096 | MK-6096 | MK6096
Database Links Click here for help
Specialist databases
GPCRdb Ligand filorexant
Other databases
CAS Registry No. 1088991-73-4
ChEMBL Ligand CHEMBL2107822
GtoPdb PubChem SID 135650616
PubChem CID 25128145
Search Google for chemical match using the InChIKey NPFDWHQSDBWQLH-QZTJIDSGSA-N
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UniChem Compound Search for chemical match using the InChIKey NPFDWHQSDBWQLH-QZTJIDSGSA-N
UniChem Connectivity Search for chemical match using the InChIKey NPFDWHQSDBWQLH-QZTJIDSGSA-N
Wikipedia Filorexant