CHEMBL2180940


SMILES Cn1cc2c(nc(NCCc3ccccc3)n3nc(-c4ccco4)nc23)n1
InChIKey DOQMMBVTJMYBSJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 359.1

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
A2B AA2BR Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A3 AA3R Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.34 7.34 7.34 ChEMBL
A1 AA1R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database