CHEMBL315150


SMILES CC(C)CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1
InChIKey NXSARBYAOXIQJA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 311.1

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 Rat Adenosine A pKi 8.72 8.72 8.72 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.25 8.25 8.25 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A3 AA3R Human Adenosine A pKi 6.15 6.16 6.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.11 9.11 9.11 ChEMBL
A1 AA1R Human Adenosine A pKi 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database