CHEMBL344706


SMILES CCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1
InChIKey SJZFDIQTLVHZRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 283.1

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
A2A AA2AR Rat Adenosine A pKi 7.69 7.69 7.69 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A3 AA3R Human Adenosine A pKi 6.21 6.3 6.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.59 8.6 8.6 ChEMBL
A1 AA1R Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.4 7.4 7.4 ChEMBL