CHEMBL5086261


SMILES N[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H]1O
InChIKey HZHZTWSOBKLCAM-AXAPSJFSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 468.0

Drug properties

Molecular type Unknown
Physiological/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 6.58 6.58 6.58 ChEMBL
A1 AA1R Human Adenosine A pKi 5.61 5.61 5.61 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database