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

Database connections

Structure pdb 5WQC 5WS3 6TOD 6TPG

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 4.12 4.12 4.12 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.2 7.24 7.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
A3 AA3R Human Adenosine A pKi 5.4 5.41 5.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.07 6.14 6.22 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.3 7.3 7.3 Guide to Pharmacology
A1 AA1R Bovine Adenosine A pKd 7.77 7.77 7.77 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.65 5.66 5.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database