CHEMBL3093310


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O
InChIKey AXFIBHMJKBPZTM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 349.2

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
A2A AA2AR Rat Adenosine A pKi 6.27 6.27 6.27 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.87 6.87 6.87 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.45 5.45 5.45 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database