CHEMBL572602


SMILES O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12
InChIKey FPCTUKFYWXDOAK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 553.2

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
A3 AA3R Human Adenosine A pKi 6.39 6.39 6.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.59 6.59 6.59 ChEMBL
A1 AA1R Human Adenosine A pKi 5.93 5.93 5.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database