CHEMBL2113699


SMILES CNC(=O)[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O1
InChIKey HKUMPRPHQWARCG-IQUTYRLHSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 570.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 7.2 7.2 7.2 ChEMBL
A2A AA2AR Rat Adenosine A pKi 4.8 4.8 4.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database