CHEMBL2064658


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(N)cc4)nc31)[C@H](O)[C@@H]2O
InChIKey QIPXFOSNBJEEPA-WANRRHMFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 543.2

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
A1 AA1R Mouse Adenosine A pKi 6.58 6.58 6.58 ChEMBL
A3 AA3R Mouse Adenosine A pKi 9.09 9.09 9.09 ChEMBL
A3 AA3R Human Adenosine A pKi 8.64 8.64 8.64 ChEMBL
A1 AA1R Human Adenosine A pKi 5.82 5.82 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database