CHEMBL3093312


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O
InChIKey JOAYKSVANSXOGH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 379.2

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 6.16 6.16 6.16 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.64 6.64 6.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
A1 AA1R Human Adenosine A pKi 5.88 5.88 5.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database