CHEMBL4642262


SMILES Nc1nc(-c2ccc(NC(=O)CCN3CCN(CCO)CC3)cc2)cn2c(=O)n(-c3ccccc3)nc12
InChIKey YJXRUDJEAHAFSB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 502.2

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 5.61 5.61 5.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.14 8.14 8.14 ChEMBL
A1 AA1R Human Adenosine A pKi 6.25 6.25 6.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database