lemborexant [4668]



lemborexant


SMILES Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIKey MUGXRYIUWFITCP-PGRDOPGGSA-N

Chemical Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Log P 3.742
Molecular weight (Da) 410.2
Stereochemistry info partial

Database connections

Structure pdb 7XRR 6TOT
Model (Boltz2) OX1 OX2

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

lemborexant


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 2
Phase III 2
Phase IV 2

Database connections

Structure pdb 7XRR 6TOT
Model (Boltz2) OX1 OX2

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score