CHEMBL88128


SMILES CCCn1c(=O)c2nc(C3CCC(OC(=O)CBr)C3)[nH]c2n(CCC)c1=O
InChIKey DHSWQSKKSQHZGX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 440.1

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
A1 AA1R Human Adenosine A pKd 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.7 7.7 7.7 ChEMBL