CHEMBL1935748


SMILES CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc3c2c1
InChIKey ICGBCZUFVWBFGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 431.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A1 AA1R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.04 6.04 6.04 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.3 7.3 7.3 ChEMBL