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CHEBI:93358 - PD169316

Default Structure
ChEBI IDCHEBI:93358
ChEBI NamePD169316
Stars
DefinitionA member of the class of imidazoles that is 1H-imidazole in which the hydrogens at positions 2, 4, and 5 are replaced by 4-nitrophenyl, 4-fluorophenyl, and pyridin-4-yl groups, respectively. It is a potent inhibitor of p38 MAP kinase (IC50 = 89 nM).
Last Modified17 July 2025
DownloadsMolfile
FormulaC20H13FN4O2
Net Charge0
Average Mass360.348
Monoisotopic Mass360.10225
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)
InChIKeyBGIYKDUASORTBB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
PD169316 (CHEBI:93358) has role antiviral agent (CHEBI:22587)
PD169316 (CHEBI:93358) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
PD169316 (CHEBI:93358) is a C-nitro compound (CHEBI:35716)
PD169316 (CHEBI:93358) is a imidazoles (CHEBI:24780)
PD169316 (CHEBI:93358) is a monofluorobenzenes (CHEBI:83575)
PD169316 (CHEBI:93358) is a pyridines (CHEBI:26421)
IUPAC Name 
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
Synonyms  Source
2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazoleChEBI
4-(4-fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazoleChEBI
4-[5-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-4-yl]-pyridineChEBI
J1.342.800JDrugBank
PD 169316ChEBI
PD-169316ChEBI
Manual XrefsDatabases
DB17040DrugBank
HMDB0244687HMDB
LSM-3731LINCS
Registry NumbersSources
CAS:152121-53-4DrugBank
Citations