CHEMBL512812


SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1
InChIKey YDOSDBSTLFYMFG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 332.1

Drug properties

Molecular type Small molecule
Endogenous/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 5.61 5.61 5.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.07 8.07 8.07 ChEMBL
A1 AA1R Human Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.69 6.69 6.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database