CHEMBL1935744


SMILES CCCn1cc2nc(N)n3nc(-c4ccco4)nc3c2c1
InChIKey DMKJPAYMGBCNOU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 282.1

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
A3 AA3R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A1 AA1R Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.05 7.05 7.05 ChEMBL