CHEMBL2368366


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey GSEPPCKOQUMRLH-ISRHKJNMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 518.2

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
A2A AA2AR Mouse Adenosine A pKi 5.74 5.74 5.74 ChEMBL
A1 AA1R Mouse Adenosine A pKi 8.17 8.17 8.17 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.78 8.78 8.78 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A3 AA3R Human Adenosine A pKi 9.16 9.16 9.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
A1 AA1R Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database