lemborexant


SMILES O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F
InChIKey MUGXRYIUWFITCP-PGRDOPGGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 410.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6TOT 7XRR

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.41 8.41 8.41 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.91 8.91 8.91 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.52 9.06 9.36 ChEMBL
OX1 OX1R Human Orexin A pKi 8.09 8.09 8.09 Drug Central
OX2 OX2R Human Orexin A pKi 8.07 8.07 8.07 Drug Central
OX1 OX1R Human Orexin A pKi 8.22 8.35 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database