CHEMBL5427931


SMILES Nc1nc(NCCc2ccc(O)cc2)nc2c1nc(-c1ccco1)n2[C@@H]1SC[C@@H](O)[C@H]1O
InChIKey OQHSBVMLIHPRJH-OWDMVUQNSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 454.1

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
A2B AA2BR Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
A3 AA3R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database