Empa


SMILES COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC
InChIKey KJPHTXTWFHVJIG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 454.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pKi 8.4 8.8 9.2 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 5.35 5.9 6.05 ChEMBL
OX2 OX2R Human Orexin A pKi 6.0 8.37 8.96 ChEMBL
OX2 OX2R Human Orexin A pIC50 8.7 8.7 8.7 ChEMBL