CHEMBL258499


SMILES CCn1c(=O)n(CC(C)C)c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc21
InChIKey DGJKEVKNNOMMSR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 460.2

Drug properties

Molecular type Small molecule
Physiological/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 7.96 7.96 7.96 ChEMBL
A3 AA3R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.96 5.96 5.96 ChEMBL
A1 AA1R Human Adenosine A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database