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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5WQC 6TOD 6TPG 5WS3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 5.796666666666667 5.8 5.8 Guide to Pharmacology
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pIC50 8.7 8.7 8.7 ChEMBL