CHEMBL374028


SMILES COc1ccc2[nH]cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c2c1
InChIKey HIDGDYNRSPJOMR-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 456.2

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 6.44 6.44 6.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.85 5.85 5.85 ChEMBL
A1 AA1R Human Adenosine A pKi 5.74 5.74 5.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.9 5.9 5.9 ChEMBL