Lemborexant

Chemical Properties

SMILES O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight 410.2

Drug Properties

Type Small molecule
Endogenous No
Approved Yes
InChIKey MUGXRYIUWFITCP-PGRDOPGGSA-N

Database Connections

External Links
Structure pdb 6TOT


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.22 8.22 8.22 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.52 8.52 8.52 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 8.22 8.35 8.6 ChEMBL
OX2 OX2R Human Orexin A pKi 8.52 9.06 9.36 ChEMBL