CHEBI:90681 - SB-239063

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ChEBI Name SB-239063
ChEBI ID CHEBI:90681
Definition A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
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Formula C20H21FN4O2
Net Charge 0
Average Mass 368.405
Monoisotopic Mass 368.16485
InChI InChI=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-
InChIKey ZQUSFAUAYSEREK-WKILWMFISA-N
SMILES C=1(N(C=NC1C=2C=CC(=CC2)F)[C@H]3CC[C@@H](CC3)O)C4=NC(OC)=NC=C4
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
SB 239063 ChEBI
SB239063 ChEBI
Manual Xref Database
SB0 PDBeChem
View more database links
Registry Numbers Types Sources
193551-21-2 CAS Registry Number ChemIDplus
9010076 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23840427 PubMed citation Europe PMC
24188200 PubMed citation Europe PMC
24307181 PubMed citation Europe PMC
Last Modified
08 July 2016