CHEMBL186403


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc([N+](=O)[O-])cc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey VNNIWUZWLZWHIP-OIODXMIOSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 527.2

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
A2B AA2BR Human Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A3 AA3R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.92 5.92 5.92 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.51 8.51 8.51 ChEMBL