CHEMBL164381


SMILES CCn1cc2c(nc(NC(=O)Nc3cccc(OC)c3)n3nc(-c4ccco4)nc23)n1
InChIKey LHFQFJWTQJNDSV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 418.2

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 6.67 6.67 6.67 ChEMBL
A3 AA3R Human Adenosine A pKi 6.07 8.57 9.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A1 AA1R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database