compound 4g [PMID: 22220592]


SMILES Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C
InChIKey SORFNYWLKDSNNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 277.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3UZA
Ligand site mutations A2A

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 8.11 8.11 8.11 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKd 8.9 8.9 8.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.11 8.11 8.11 ChEMBL
A1 AA1R Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database