CHEMBL372148


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(-c5ccccc5)cc4)cc3)cc2n(C)c1=O
InChIKey FTVRDQDWDBZPQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 508.2

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 pKd 6.33 6.33 6.33 ChEMBL
A2B AA2BR Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A2B AA2BR Human Adenosine A pKd 8.09 8.14 8.2 ChEMBL
A3 AA3R Human Adenosine A pKi 4.91 4.91 4.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.58 5.58 5.58 ChEMBL
A2A AA2AR Human Adenosine A pKd 5.5 5.5 5.5 ChEMBL
A1 AA1R Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database