CHEMBL3926805


SMILES Cn1cc2c(nc(NC(=O)CCCc3cn(CCCCCCNC(=O)c4ccc(-c5c6ccc(=N)c(S(=O)(=O)O)c-6oc6c(S(=O)(=O)O)c(N)ccc56)c(C(=O)O)c4)nn3)n3nc(-c4ccco4)nc23)n1
InChIKey XEABBZPOOUCNPW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 7
Rotatable bonds 18
Molecular weight (Da) 1007.2

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 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database