CHEMBL360837


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

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 498.2

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 6.21 6.21 6.21 ChEMBL
A3 AA3R Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A1 AA1R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 8.54 8.54 8.54 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.89 5.92 5.94 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.1 8.1 8.1 ChEMBL