CHEMBL5557461


SMILES CCCCC#Cc1nc2c(N)nc(-c3ccco3)nc2n1[C@@H]1SC[C@@H](O)[C@H]1O
InChIKey YROBLOXLHQVABO-PRIMNGNOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 399.1

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 6.41 6.41 6.41 ChEMBL
A3 AA3R Human Adenosine A pKi 8.8 8.8 8.8 ChEMBL
A1 AA1R Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database