BAY 60-6583


SMILES N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N
InChIKey ZTYHZMAZUWOXNC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 379.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7XY6 8HDO
Ligand site mutations A2B

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 8.0 8.26 8.52 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 6.48 6.48 6.48 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 7.51 7.51 7.51 ChEMBL