CHEMBL2112160


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey MUGZLFJQWFEYBM-YIVQXCEWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 442.2

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
A3 AA3R Human Adenosine A pKi 9.2 9.2 9.2 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
A1 AA1R Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database