CHEMBL9335


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 554.3

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 8.21 8.21 8.21 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database