CHEMBL50051


SMILES Cn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21
InChIKey PGKBTOTUGNMPMG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 337.2

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 7.96 7.96 7.96 ChEMBL
A1 AA1R Human Adenosine A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Rat Adenosine A pIC50 6.66 6.66 6.66 ChEMBL
A2B AA2BR Human Adenosine A pIC50 7.85 7.85 7.85 ChEMBL