almorexant


SMILES CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1
InChIKey DKMACHNQISHMDN-RPLLCQBOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 512.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.3 8.4 8.5 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.6 9.0 9.4 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 7.89 7.89 7.89 ChEMBL
OX2 OX2R Human Orexin A pKi 8.1 8.21 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 7.8 7.8 7.8 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 8.9 8.9 8.9 Guide to Pharmacology
OX1 OX1R Mouse Orexin A pKB 7.6 7.6 7.6 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKB 8.05 8.05 8.05 Guide to Pharmacology
OX2 OX2R Rat Orexin A pKB 9.100000000000001 9.1 9.1 Guide to Pharmacology
OX2 OX2R Mouse Orexin A pKB 8.2 8.2 8.2 Guide to Pharmacology
OX1 OX1R Human Orexin A pIC50 6.92 7.65 7.89 ChEMBL
OX2 OX2R Human Orexin A pIC50 5.09 7.35 8.1 ChEMBL