CHEMBL4778265


SMILES Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OC[C@H](C)O
InChIKey CZOGJFVDQVTTBG-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 383.2

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 Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.96 9.96 9.96 ChEMBL
A1 AA1R Human Adenosine A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.11 7.11 7.11 ChEMBL