ACT-335827

ACT-335827 is an orally available, selective orexin 1 receptor antagonist with anxiolytic effects in animals. Unlike other orexin receptor antagonists, ACT-335827 lacks sedative effects and was found to have no impact on sleep architecture in mice.^[1][2]

ACT-335827

Clinical data
Routes of administration	Oral
Drug class	Orexin 1 receptor antagonist
Identifiers
IUPAC name (R)-2-((S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-isopropyl-2-phenylacetamide
CAS Number	1354039-86-3 N[EPA]
PubChem CID	54765113
ChemSpider	30774267
ChEMBL	ChEMBL2413367
CompTox Dashboard (EPA)	DTXSID901336764
Chemical and physical data
Formula	C31H38N2O5
Molar mass	518.654 g·mol−1
3D model (JSmol)	Interactive image
SMILES COC1=CC(C[C@@H](C2=C3)N(CCC2=CC(OC)=C3OC)[C@@H](C(NC(C)C)=O)C4=CC=CC=C4)=CC=C1OC
InChI InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1 Key:HXHOBPVRRPCTLG-SETSBSEESA-N