CHEMBL259772


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(-c4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O
InChIKey NEWRGCNLXGPNIV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 433.1

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 6.36 6.36 6.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.65 5.65 5.65 ChEMBL
A1 AA1R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database