CHEMBL4210592


SMILES CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ncc[nH]3)c2C#N)cc1
InChIKey MIKJZSSGWVFBKS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 376.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
A1 AA1R Human Adenosine A pKi 8.09 8.09 8.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 7.93 7.93 7.93 ChEMBL