CHEMBL281129


SMILES CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C
InChIKey SKDHZLVHBMCDJG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 301.1

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 7.99 7.99 7.99 ChEMBL
A3 AA3R Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A1 AA1R Human Adenosine A pKi 8.08 8.08 8.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.73 6.73 6.73 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.21 8.21 8.21 ChEMBL