CHEMBL563259


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 520.2

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 6.06 6.06 6.06 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
A3 AA3R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database