CHEMBL37050


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 468.2

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 6.35 6.35 6.35 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database