CHEMBL577915


SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey NVINXDUHMZXGJN-SDBHATRESA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 383.2

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 Rat Adenosine A pKi 4.97 5.62 6.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A3 AA3R Human Adenosine A pKi 5.63 5.63 5.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database