CHEMBL2113406


SMILES OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey QNQVVNSRYWTXJV-WVSUBDOOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 399.2

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
A1 AA1R Rat Adenosine A pKi 7.8 7.96 8.12 ChEMBL
A3 AA3R Human Adenosine A pKi 7.48 7.48 7.48 ChEMBL
A1 AA1R Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.26 7.26 7.26 ChEMBL
A2A AA2AR Human Adenosine A pIC50 4.13 4.13 4.13 ChEMBL