CHEMBL422184


SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
InChIKey PCKXPIQJKLNHMF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 417.2

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
A3 AA3R Rat Adenosine A pKi 6.29 6.29 6.29 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.01 5.01 5.01 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.22 5.22 5.22 ChEMBL
A3 AA3R Human Adenosine A pKi 8.02 8.02 8.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database