CHEMBL557694


SMILES CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCCOC)c1=O
InChIKey IGNMITXEGXOEGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 502.2

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
A1 AA1R Rat Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.04 8.04 8.04 ChEMBL
A3 AA3R Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database