CHEMBL4098853


SMILES CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(=O)O)cc5)C4)c3)nc2n(CCC)c1=O
InChIKey PTNLYZKNZPURKZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 519.2

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 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database