CHEMBL4468152


SMILES Cn1cc2c(nc(NCC3CCC(CNC(=O)OC(C)(C)C)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey AEDMXUNQSCAVJR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 480.3

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
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 ChEMBL
A3 AA3R Human Adenosine A pKi 6.07 6.07 6.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A1 AA1R Human Adenosine A pKi 5.39 5.39 5.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database