CHEMBL132806


SMILES CC(C)CCn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey MXFWGZWWOLYNTJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 429.2

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
A2B AA2BR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A3 AA3R Human Adenosine A pKi 7.09 7.09 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
A1 AA1R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.72 6.72 6.72 ChEMBL