CHEMBL385771


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NOC)nc(I)nc32)[C@H](O)[C@@H]1O
InChIKey CFLPMOKMCILRSV-QMWPFBOUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 450.0

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 8.77 8.77 8.77 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database