CHEMBL1079803


SMILES O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1
InChIKey NAEQLYJGLPELMV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 339.1

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 8.3 8.3 8.3 ChEMBL
A3 AA3R Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database