CHEMBL193692


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey TUGMXIURLRAWSS-UMCMBGNQSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 447.2

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 Rat Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.36 8.04 8.17 ChEMBL
A3 AA3R Human Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.29 6.54 7.3 ChEMBL
A1 AA1R Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.31 6.31 6.31 ChEMBL