seltorexant


SMILES Cc1cc(C)nc(n1)N1CC2C(C1)CN(C2)C(=O)c1c(F)cccc1n1nccn1
InChIKey SQOCEMCKYDVLMM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 407.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Rat Adrenoceptors A pKi 5.69 5.69 5.69 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 5.17 5.17 5.17 ChEMBL
α1B ADA1B Rat Adrenoceptors A pEC50 4.85 4.85 4.85 ChEMBL