CHEMBL9725


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)c4ccc(CBr)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey MFMZGNCIFQTXIZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 624.2

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
A1 AA1R Bovine Adenosine A pKi 8.0 8.0 8.0 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.94 7.94 7.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database