CHEMBL3740959


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC(C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey QNCPQBFIQUQVFE-TWPVINNASA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 466.2

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
A2B AA2BR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A3 AA3R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A1 AA1R Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 8.26 8.26 8.26 ChEMBL