CHEMBL37726


SMILES CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)nc2c1=O
InChIKey YZDSUMFAGBKOQD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 532.2

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
A2A AA2AR Rat Adenosine A pKi 6.5 6.5 6.5 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.62 7.62 7.62 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.92 8.92 8.92 ChEMBL
A3 AA3R Human Adenosine A pKi 6.99 6.99 6.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database