CHEMBL1950647


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCN)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey UXUFTKZYJYGMGO-CMCWBKRRSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 12
Molecular weight (Da) 541.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A2A AA2AR Rat Adenosine A pKi 8.24 8.24 8.24 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.4 6.51 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database