CHEMBL167915


SMILES CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1
InChIKey IFNPTXPWWYFXLK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 461.2

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 7.28 7.28 7.28 ChEMBL
A3 AA3R Human Adenosine A pKi 6.26 8.83 9.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A1 AA1R Human Adenosine A pKi 6.23 6.23 6.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database