CHEMBL259342


SMILES CCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O
InChIKey NQHWKHKLUZDJPK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 418.1

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 8.22 8.22 8.22 ChEMBL
A3 AA3R Human Adenosine A pKi 6.58 6.58 6.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.63 6.63 6.63 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