CHEMBL9621


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNC(=O)CNC(=O)CCCN4C(=O)C=CC4=O)cc3)[nH]c2n(CCC)c1=O
InChIKey RCGRHTLONKGEDJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 650.3

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 Rat Adenosine A pKi 7.63 7.63 7.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database