CHEMBL16724


SMILES C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O
InChIKey CZKQVHBXRSZWAF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 382.1

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
A3 AA3R Rat Adenosine A pKi 3.76 3.76 3.76 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.37 5.37 5.37 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A3 AA3R Human Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
A1 AA1R Human Adenosine A pKi 5.78 5.78 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database