FILOREXANT

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Synonyms:	Filorexant MK-6096
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	E6BTT8VA5Z

Structure


InChI Key	NPFDWHQSDBWQLH-QZTJIDSGSA-N
Smile	Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H25FN4O2
Molecular Weight	420.49
AlogP	4.31
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	68.21
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Pharmacology

Action	Mechanism of Action	Reference
ANTAGONIST	Orexin receptor antagonist	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Orexin receptor	-	11-16	-	0-0	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Sleep Initiation and Maintenance Disorders	2	D007319	ClinicalTrials
Diabetic Neuropathies	2	D003929	ClinicalTrials
Depressive Disorder, Major	2	D003865	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
CAS NUMBER	1088991-73-4
ChEMBL	CHEMBL2107822
DrugBank	DB12158
EPA CompTox	DTXSID50148764
FDA SRS	E6BTT8VA5Z
Guide to Pharmacology	4460
PDB	NT5
PubChem	25128145
SureChEMBL	SCHEMBL1716633
ZINC	ZINC000043201232

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