CHEMBL4283215


SMILES NCCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1
InChIKey PEXLRVNECPFFSB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 517.3

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
A1 AA1R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.2 8.2 8.2 ChEMBL
A3 AA3R Human Adenosine A pKi 6.18 6.18 6.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database