CHEMBL4129565


SMILES COc1cccc(CNc2nc(N)c3nc(-c4cnccn4)sc3n2)c1
InChIKey JEQYLMOXQUQBSR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 365.1

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
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
A3 AA3R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.3 5.3 5.3 ChEMBL