CHEMBL600232


SMILES O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1
InChIKey PCQHQQZQXRSVDE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 384.1

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
A2A AA2AR Rat Adenosine A pKi 5.52 5.52 5.52 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A3 AA3R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.45 6.45 6.45 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database