CHEMBL5170857


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4OCc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey BFRLXNXMJLTBAD-MDIPFLTBSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 512.2

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
A1 AA1R Rat Adenosine A pKi 6.11 6.11 6.11 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.15 6.15 6.15 ChEMBL
A1 AA1R Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A1 AA1R Human Adenosine A pKd 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.42 4.42 4.42 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.38 5.38 5.38 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.67 8.67 8.67 ChEMBL