CHEMBL572600


SMILES CC(C)CCn1cc2c(nc(NC(=O)Cc3cccs3)n3nc(-c4ccco4)nc23)n1
InChIKey VQTCVICDZZKIIH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 435.1

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 Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.69 8.69 8.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database