CHEMBL2391847


SMILES Cc1sc2nc(-c3sc(NC(=O)c4ccccc4)nc3-c3ccccc3)nc(N)c2c1C
InChIKey IOFHBCAHHWKXDN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 457.1

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 6.17 6.17 6.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.31 5.31 5.31 ChEMBL
A1 AA1R Human Adenosine A pKi 5.14 5.14 5.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database