CHEMBL17294


SMILES CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)NN4C(=O)C(C)=C(C)C4=O)cc3)[nH]c2n(CCC)c1=O
InChIKey BVIGNHBNZOHTOP-FMIVXFBMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 504.2

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 6.39 6.39 6.39 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.4 8.4 8.4 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.78 7.78 7.78 ChEMBL
A3 AA3R Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A1 AA1R Human Adenosine A pKi 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database