CHEMBL437506


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey MNYDMFMNLHBJHR-SSHHRWTQSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 446.1

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 Rat Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.71 5.71 5.71 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database