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CHEBI:144676 - SB-245391

ChEBI IDCHEBI:144676
ChEBI NameSB-245391
Stars
DefinitionA piperidinylimidazole that is 1H-imidazole carrying a piperidin-4-yl group, 4-fluorophenyl group and a 2-([biphenyl]-4-yloxy)pyrimidin-4-yl group at positions 1, 4 and 5 respectively. It is a potent inhibitor of p38α mitogen-activated protein kinase.
Last Modified29 August 2019
Submitteralison.axtman
DownloadsMolfile
FormulaC30H26FN5O
Net Charge0
Average Mass491.570
Monoisotopic Mass491.21214
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2
InChIKeyWHARNYOKNQYQGR-UHFFFAOYSA-N
Roles Classification
Biological Role:
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)
SB-245391 (CHEBI:144676) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
SB-245391 (CHEBI:144676) is a aryloxypyrimidine (CHEBI:48535)
SB-245391 (CHEBI:144676) is a biphenyls (CHEBI:22888)
SB-245391 (CHEBI:144676) is a monofluorobenzenes (CHEBI:83575)
SB-245391 (CHEBI:144676) is a piperidinylimidazole (CHEBI:48587)
IUPAC Name 
2-([biphenyl]-4-yloxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
Synonyms  Source
2-[([1,1'-biphenyl]-4-yl)oxy]-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidineIUPAC
2-(4-biphenylyloxy)-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidineChEBI
SB-245391ChEBI
Citations