CHEMBL4436917


SMILES CCSC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](O)[C@@H]1O
InChIKey AGGLMBTXRADTOW-HAXDFEGKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 433.2

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 Mouse Adenosine A pKi 8.45 8.45 8.45 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.14 6.14 6.14 ChEMBL
A3 AA3R Human Adenosine A pKi 5.21 5.21 5.21 ChEMBL
A1 AA1R Human Adenosine A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database