CHEMBL3827187


SMILES CCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OCCN(CC)CC)cc2)n(CCCC)c1=O
InChIKey JSUVPCPAVPGBBK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 510.3

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
A2A AA2AR Rat Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A1 AA1R Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database