CHEMBL331291


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey ZXPDGTGMZKIESV-WRJDECPYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 406.2

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 Mouse Adenosine A pKi 9.17 9.17 9.17 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.24 8.24 8.24 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
A3 AA3R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A1 AA1R Human Adenosine A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database