CHEMBL441145


SMILES Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O
InChIKey DDBFFDSEFYGLOU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 355.2

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 6.64 6.64 6.64 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.6 4.6 4.6 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.14 5.14 5.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.2 6.2 6.2 ChEMBL
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.2 6.2 6.2 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 5.14 5.14 5.14 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.52 6.52 6.52 ChEMBL