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CHEBI:90681 - SB-239063

ChEBI IDCHEBI:90681
ChEBI NameSB-239063
Stars
DefinitionA member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
Last Modified8 July 2016
Submittermziehm
DownloadsMolfile
FormulaC20H21FN4O2
Net Charge0
Average Mass368.412
Monoisotopic Mass368.16485
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1
InChIInChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
InChIKeyZQUSFAUAYSEREK-WKILWMFISA-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-239063 (CHEBI:90681) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
SB-239063 (CHEBI:90681) is a aromatic ether (CHEBI:35618)
SB-239063 (CHEBI:90681) is a cyclohexanols (CHEBI:23480)
SB-239063 (CHEBI:90681) is a imidazoles (CHEBI:24780)
SB-239063 (CHEBI:90681) is a monofluorobenzenes (CHEBI:83575)
SB-239063 (CHEBI:90681) is a pyrimidines (CHEBI:39447)
SB-239063 (CHEBI:90681) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexan-1-ol
Synonyms  Source
SB 239063ChEBI
SB239063ChEBI
Manual XrefsDatabases
SB0PDBeChem
Registry NumbersSources
Reaxys:9010076Reaxys
CAS:193551-21-2ChemIDplus
Citations