CHEMBL36963


SMILES CCCn1c(=O)c2nc(-c3ccc(I)cc3)[nH]c2n(CCC)c1=O
InChIKey VLLKJIKOSLBVIW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 438.1

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
A2A AA2AR Rat Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.68 8.68 8.68 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database