CHEMBL165778


SMILES CCCn1cc2c(nc(NC(=O)Nc3ccc(F)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey RPJWXCWBXBWFCF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 420.1

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 6.79 6.79 6.79 ChEMBL
A3 AA3R Human Adenosine A pKi 6.54 9.04 9.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
A1 AA1R Human Adenosine A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database