CHEMBL2413249


SMILES Cn1cc2c(nc(NNC(=S)Nc3ccc(C4c5ccc(O)cc5OC5=CC(=O)C=CC54)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)n1
InChIKey XPLLPUWZQGCFTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 661.1

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 6.1 6.1 6.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
A1 AA1R Human Adenosine A pKi 5.02 5.02 5.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database