MRS1191


SMILES CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
InChIKey SNVFDPHQAOXWJZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 477.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 5.85 5.85 5.85 ChEMBL
A3 AA3R Human Adenosine A pKi 7.5 7.55 7.65 ChEMBL
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 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.5 7.5 7.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.4 4.4 4.4 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.4 4.4 4.4 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 5.8 5.8 5.8 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database