CHEMBL252245


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(-c5ccccc5)on4)c3)nc2n(CCC)c1=O
InChIKey QHQXJNOXMJZDGX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 459.2

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 7.85 7.85 7.85 ChEMBL
A3 AA3R Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
A1 AA1R Human Adenosine A pKi 5.82 5.82 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database