CHEMBL4447993


SMILES Nc1nc(-c2ccc(OCCNC(=O)CCCCC3CCSS3)cc2)cn2c(=O)n(-c3ccccc3)nc12
InChIKey QUUSOCIUFGWWEB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 550.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 8.05 8.05 8.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.39 5.39 5.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.62 8.62 8.62 ChEMBL
A1 AA1R Human Adenosine A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 6.94 6.94 6.94 ChEMBL