CHEMBL5183720


SMILES COc1cc(CCNc2nc(OCC(C)C)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)ccc1O
InChIKey RMSPTRHMWVZXTN-LFDFRMOKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 469.2

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
A2A AA2AR Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A3 AA3R Human Adenosine A pKi 7.88 7.88 7.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database