CHEMBL4080171


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)c3)nc2n(CCC)c1=O
InChIKey PTCFANHNEXKGTO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 556.2

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 8.74 8.74 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database