CHEMBL3414943


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H]5C[C@@H]6CC[C@@H]5C6)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey UQOODWFWVKWKPZ-TXWJGDGWSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 461.2

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
A3 AA3R Human Adenosine A pKi 7.79 7.79 7.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A1 AA1R Human Adenosine A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.14 6.14 6.14 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.89 7.89 7.89 ChEMBL
A1 AA1R Human Adenosine A pEC50 7.99 7.99 7.99 ChEMBL