ACT-462206


SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(c1)C
InChIKey NHPQGZOBHSVTAQ-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 388.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6TP4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.2 8.2 8.2 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 9.2 9.2 9.2 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 8.2 8.2 8.2 ChEMBL
OX2 OX2R Human Orexin A pKi 9.2 9.2 9.2 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 8.6 8.6 8.6 Guide to Pharmacology
OX1 OX1R Human Orexin A pIC50 7.22 7.32 7.52 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.96 8.07 8.3 ChEMBL