CHEMBL2391833


SMILES O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccco1
InChIKey KSEMQTMYQFMLHK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 347.1

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
A2B AA2BR Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A3 AA3R Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
A1 AA1R Human Adenosine A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database