CHEMBL27043


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 385.2

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
A2A AA2AR Rat Adenosine A pKi 7.12 7.12 7.12 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.7 7.96 8.22 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.48 7.63 7.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database