CHEMBL2042298


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey UQERKZWKUCVXID-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 427.2

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
A1 AA1R Rat Adenosine A pKi 6.33 6.33 6.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.84 6.84 6.84 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.98 6.98 6.98 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pIC50 6.95 6.95 6.95 ChEMBL