CHEMBL4437771


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCCc3cccc(F)c3)nc(C#Cc3ccc(F)s3)nc21
InChIKey WABJXTYSEMVVSX-ZVGWPWKESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 493.1

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 Mouse Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A3 AA3R Human Adenosine A pKi 7.25 7.25 7.25 ChEMBL
A1 AA1R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database