CHEMBL443665


SMILES COc1ccccc1Cn1nnc2c(-c3ccco3)nc(N)nc21
InChIKey BBLIPTCQCVIILX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 322.1

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
A2A AA2AR Human Adenosine A pKi 8.27 8.27 8.27 ChEMBL
A1 AA1R Human Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A3 AA3R Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database