suvorexant [8103]



suvorexant


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N

Chemical Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Log P 4.111
Molecular weight (Da) 450.2
Stereochemistry info full

Database connections

Structure pdb 6TPJ 4ZJ8 4S0V 6TO7
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

suvorexant


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 2
Phase II 12
Phase III 2
Phase IV 2

Database connections

Structure pdb 6TPJ 4ZJ8 4S0V 6TO7
Model (Boltz2) OX1 OX2

Sankey plot

Drug Information

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