CHEMBL16787


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey KFCWOAWPHAAPIH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 506.2

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
A2A AA2AR Rat Adenosine A pKi 5.93 5.93 5.93 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.88 7.88 7.88 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.82 8.82 8.82 ChEMBL
A3 AA3R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
A1 AA1R Human Adenosine A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database