CHEMBL4469798


SMILES Cn1cc2c(nc(NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)n3nc(-c4ccco4)nc23)n1
InChIKey ZYQJMXBLKSAHAS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 16
Molecular weight (Da) 558.3

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 6.58 6.58 6.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A1 AA1R Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database