AZD4635   

GtoPdb Ligand ID: 11153

Synonyms: AZD-4635 | imaradenant (proposed INN)
Compound class: Synthetic organic
Comment: AZD4635 is an orally bioavailable adenosine A2A receptor (A2AR) antagonist [2]. It was developed as a potential immuno-oncology (immunotherapy) drug. In human dendritic cells adenosine promotes a tolerogenic phenotype that can be reversed with AZD4635, an activity that rescues immune cell function and enhances anti-tumour immunity in syngeneic mouse tumour models [2].
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key NCWQLHHDGDXIJN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Synonyms
AZD-4635 | imaradenant (proposed INN)
Database Links
CAS Registry No. 1321514-06-0 (source: WHO INN record)
GtoPdb PubChem SID 434122213
PubChem CID 86676119
RCSB PDB Ligand F9Q
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