CHEMBL56399


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)Cc4cccs4)cc3)[nH]c2n(CCC)c1=O
InChIKey YATCVNSFEYKJQG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 552.2

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
A1 AA1R Rat Adenosine A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database