CHEMBL4059994


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@H](O)[C@@H]2O)n1
InChIKey KMOXXFGVTZFHKZ-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 413.2

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
A3 AA3R Human Adenosine A pKi 5.25 5.25 5.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.84 4.84 4.84 ChEMBL
A1 AA1R Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database