GW-328267


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey FLBKPDIBGNWXMT-NIQZGXKPSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 482.2

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 5.89 5.89 5.89 ChEMBL
A3 AA3R Human Adenosine A pKi 7.04 7.29 7.8 ChEMBL
A3 AA3R Human Adenosine A pKd 8.3 8.3 8.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.34 7.78 8.64 ChEMBL
A1 AA1R Human Adenosine A pKi 6.0 6.29 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pEC50 8.0 8.0 8.0 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.89 6.3 7.29 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.38 8.38 8.38 ChEMBL
A3 AA3R Human Adenosine A pIC50 8.3 8.3 8.3 ChEMBL
A2A AA2AR Human Adenosine A pEC50 8.05 8.37 9.0 ChEMBL
A2A AA2AR Human Adenosine A pIC50 9.4 9.4 9.4 ChEMBL
A1 AA1R Human Adenosine A pEC50 6.05 6.05 6.05 ChEMBL