CHEMBL4533332


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

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 486.2

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
A3 AA3R Human Adenosine A pKi 6.23 6.23 6.23 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.9 5.9 5.9 ChEMBL
A1 AA1R Human Adenosine A pKi 4.91 4.91 4.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database