CHEMBL300624


SMILES Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21
InChIKey UWDBBNIVTAVDGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 325.1

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 5.68 5.68 5.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A1 AA1R Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 6.29 6.29 6.29 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.82 6.82 6.82 ChEMBL