CHEMBL3091482


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O
InChIKey VIELPDBTJAVHAX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 313.2

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 6.42 6.42 6.42 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
A1 AA1R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database