MRS1706


SMILES CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C
InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 503.2

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
A2B AA2BR Human Adenosine A pKi 8.86 8.86 8.86 ChEMBL
A3 AA3R Human Adenosine A pKi 6.64 6.64 6.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
A1 AA1R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.42 7.42 7.42 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database