CHEMBL5189274


SMILES COc1cc(Nc2nc(CNCC3CCN(C)CC3)cc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIKey BEEPNOPDXUGEBT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 516.3

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 pKd 6.24 6.4 6.56 ChEMBL
A3 AA3R Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
A1 AA1R Human Adenosine A pKi 6.13 6.13 6.13 ChEMBL
A1 AA1R Human Adenosine A pKd 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.56 8.56 8.56 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.33 8.33 8.33 ChEMBL