CHEMBL417292


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O
InChIKey VIXCVSNTFYSXDO-DPNDMPAOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 493.1

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 6.22 6.22 6.22 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.16 7.16 7.16 ChEMBL
A2B AA2BR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A3 AA3R Human Adenosine A pKi 8.04 8.3 8.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.07 6.07 6.07 ChEMBL
A1 AA1R Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.03 6.03 6.03 ChEMBL
A3 AA3R Human Adenosine A pEC50 9.15 9.15 9.15 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.66 6.66 6.66 ChEMBL