DANAVOREXTON

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Synonyms:	TAK-925
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	1QMD83K4YN

Structure


InChI Key	UXZAJSZFFARTEI-YRPNKDGESA-N
Smile	COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1
InChI	InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H32N2O5S
Molecular Weight	424.56
AlogP	2.88
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	84.94
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	29.0

Pharmacology

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	2.2-5500	-	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Sleep Apnea, Obstructive	1	D020181	ClinicalTrials
Narcolepsy	1	D009290	ClinicalTrials
Idiopathic Hypersomnia	1	D020177	ClinicalTrials
Sleep Apnea Syndromes	1	D012891	ClinicalTrials
Narcolepsy	1	D009290	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4650341
DrugBank	DB16962
FDA SRS	1QMD83K4YN
PDB	A6F

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