CHEMBL27952


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)ncnc31)[C@H](O)[C@@H]2O
InChIKey PSTJTJSXZYZTNV-ZLQDYUCGSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 345.2

Drug properties

Molecular type Small molecule
Endogenous/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 5.17 5.17 5.17 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 7.0 7.0 7.0 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.67 7.67 7.67 ChEMBL