CHEMBL1096409


SMILES O=C(Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12)c1cccc(Cl)c1
InChIKey NDYJYWOTTDGVPO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 453.1

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
A3 AA3R Human Adenosine A pKi 7.65 7.65 7.65 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A1 AA1R Human Adenosine A pKi 5.98 5.98 5.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database