CHEMBL199895


SMILES CCCn1c(=O)c2nc(-c3cnn(Cc4noc(-c5ccc(C#N)cc5)n4)c3)[nH]c2n(CCC)c1=O
InChIKey AUMGXDRTMXHQMJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 485.2

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
A2B AA2BR Human Adenosine A pKi 7.85 7.85 7.85 ChEMBL
A3 AA3R Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
A1 AA1R Human Adenosine A pKi 6.24 6.24 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database