CHEMBL4782266


SMILES Cc1cccnc1CNC(=O)c1cnc(-c2ccco2)nc1N
InChIKey KUZLOICQIHXRSW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 309.1

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 6.36 6.36 6.36 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.48 8.48 8.48 ChEMBL
A1 AA1R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.11 7.11 7.11 ChEMBL