CHEMBL65271


SMILES CCn1cc2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey IZKLDTRUPWVXIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 418.2

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
A2B AA2BR Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
A3 AA3R Human Adenosine A pKi 6.1 9.01 9.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.98 5.98 5.98 ChEMBL
A1 AA1R Human Adenosine A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.19 8.25 8.32 ChEMBL