filorexant


SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1
InChIKey NPFDWHQSDBWQLH-QZTJIDSGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 420.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6TP6

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.4 8.97 9.1 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.9 9.35 9.1 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 8.54 8.7 9.2 ChEMBL
OX2 OX2R Human Orexin A pKi 9.52 9.55 9.7 ChEMBL
OX1 OX1R Rat Orexin A pKi 8.54 8.54 8.54 ChEMBL
OX2 OX2R Rat Orexin A pKi 9.51 9.51 9.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 8.7 8.7 8.7 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 9.7 9.7 9.7 Guide to Pharmacology
OX1 OX1R Mouse Orexin A pKB 7.6 7.6 7.6 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKB 9.2 9.2 9.2 Guide to Pharmacology
OX2 OX2R Rat Orexin A pKB 9.6 9.6 9.6 Guide to Pharmacology
OX2 OX2R Mouse Orexin A pKB 8.2 8.2 8.2 Guide to Pharmacology
OX1 OX1R Human Orexin A pIC50 7.8 7.88 7.96 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.77 7.87 7.96 ChEMBL