CHEMBL490262


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O
InChIKey DLDXAAWYBLTTEM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 400.2

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 5.67 5.67 5.67 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.46 7.46 7.46 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A2B AA2BR Human Adenosine A pKd 7.22 7.22 7.22 ChEMBL
A3 AA3R Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A1 AA1R Human Adenosine A pKi 7.17 7.17 7.17 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.92 8.92 8.92 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.37 6.37 6.37 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database