CHEMBL1289569


SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1
InChIKey XCNMPRNFAWIILX-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 523.2

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 7.7 8.41 9.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.84 5.84 5.84 ChEMBL
A1 AA1R Human Adenosine A pKi 8.07 8.07 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database