CHEMBL477444


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O
InChIKey ZKIZBXWHVOAQQX-SDBHATRESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 353.1

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
A2A AA2AR Rat Adenosine A pKi 5.06 5.06 5.06 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.21 8.1 9.14 ChEMBL
A3 AA3R Human Adenosine A pKi 5.89 6.15 6.42 ChEMBL
A1 AA1R Human Adenosine A pKi 9.23 9.23 9.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.49 5.49 5.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 7.58 7.58 7.58 ChEMBL