CHEMBL6062615


SMILES CCn1c(=O)c2c(C)c(Cn3cn[nH]c3=O)sc2n(CCC(F)(F)F)c1=O
InChIKey GTNNKMDPAIQNRD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 403.1

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 7.92 7.92 7.92 ChEMBL
A1 AA1R Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
A3 AA3R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database