CHEMBL2078766


SMILES Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1
InChIKey TTZMFTDWOAMKAI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 501.2

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 7.68 7.68 7.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A1 AA1R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.49 5.49 5.49 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.09 7.09 7.09 ChEMBL