suvorexant


SMILES Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
InChIKey JYTNQNCOQXFQPK-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 450.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 4S0V 4ZJ8 6TO7 6TPJ

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.7 9.1 9.3 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.9 9.3 9.5 Guide to Pharmacology
OX2 OX2R Rat Orexin A pKi 9.0 9.0 9.0 Guide to Pharmacology
OX1 OX1R Mouse Orexin A pKi 8.77 8.77 8.77 ChEMBL
OX2 OX2R Mouse Orexin A pKi 8.06 8.06 8.06 ChEMBL
OX1 OX1R Human Orexin A pKi 8.51 9.14 9.4 ChEMBL
OX2 OX2R Human Orexin A pKi 7.93 9.06 9.46 ChEMBL
OX1 OX1R Human Orexin A pKi 8.03 8.03 8.03 Drug Central
OX2 OX2R Human Orexin A pKi 8.02 8.02 8.02 Drug Central
OX2 OX2R Mouse Orexin A pKi 8.09 8.09 8.09 Drug Central
OX1 OX1R Mouse Orexin A pKi 8.06 8.06 8.06 Drug Central
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 9.5 9.5 9.5 Guide to Pharmacology
OX1 OX1R Mouse Orexin A pKB 9.0 9.0 9.0 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKB 9.2 9.2 9.2 Guide to Pharmacology
OX2 OX2R Rat Orexin A pKB 9.2 9.2 9.2 Guide to Pharmacology
OX2 OX2R Mouse Orexin A pKB 8.3 8.3 8.3 Guide to Pharmacology
OX1 OX1R Human Orexin A pIC50 6.7 7.15 7.3 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.86 7.6 9.4 ChEMBL