CHEMBL4127213


SMILES COc1ccccc1CNc1nc(N)c2nc(-c3ccccc3)sc2n1
InChIKey REDHRMQBZHBARB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 363.1

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
A2A AA2AR Human Adenosine A pKi 8.33 8.33 8.33 ChEMBL
A1 AA1R Human Adenosine A pKi 7.99 7.99 7.99 ChEMBL
A3 AA3R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 8.12 8.2 8.27 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.87 7.87 7.87 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.58 5.58 5.58 ChEMBL