CHEMBL466021


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O
InChIKey DUUGGDGHFBNLHS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 460.2

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
A2B AA2BR Human Adenosine A pKi 8.15 8.15 8.15 ChEMBL
A3 AA3R Human Adenosine A pKi 6.48 6.48 6.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.54 7.54 7.54 ChEMBL
A1 AA1R Human Adenosine A pKi 7.69 7.69 7.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database