imaradenant   Click here for help

GtoPdb Ligand ID: 11153

Synonyms: AZD-4635 | AZD4635
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Imaradenant (AZD4635) is an orally bioavailable adenosine A2A receptor (A2AR) antagonist [2]. It was developed as a potential immuno-oncology (immunotherapy) drug. Imaradenant reduces the immunosuppressive effects of adenosine within the tumour microenvironment, an activity that rescues immune cell function and it enhances the efficacy of checkpoint inhibitors in syngeneic mouse tumour models [2].
In 2021 AstraZeneca decided to stop a number of their midphase studies of imaradenant in patients with prostate cancer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 77.58
Molecular weight 315.07
XLogP 2.8
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl
Isomeric SMILES Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl
InChI InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
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Molecular structure representations generated using Open Babel