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CHEBI:233137 - PTUBP

Default Structure
ChEBI IDCHEBI:233137
ChEBI NamePTUBP
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC26H24F3N5O3S
Net Charge0
Average Mass543.571
Monoisotopic Mass543.15520
SMILESNS(=O)(=O)c1ccc(-n2nc(CCC/N=C(\O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C26H24F3N5O3S/c27-26(28,29)19-8-10-20(11-9-19)32-25(35)31-16-4-7-21-17-24(18-5-2-1-3-6-18)34(33-21)22-12-14-23(15-13-22)38(30,36)37/h1-3,5-6,8-15,17H,4,7,16H2,(H2,30,36,37)(H2,31,32,35)
InChIKeyCSEPEVFNTFMBAE-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 3.3.2.10 (soluble epoxide hydrolase) inhibitor  Any inhibitor of soluble epoxide hydrolase, a bifunctional enzyme that in humans is encoded by the EPHX2 gene.Found in both the cytosol and peroxisomes it binds to specific epoxides and converts them into the corresponding diols.
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor  A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
ChEBI Ontology
Outgoing Relation(s)
PTUBP (CHEBI:233137) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544)
PTUBP (CHEBI:233137) has role EC 3.3.2.10 (soluble epoxide hydrolase) inhibitor (CHEBI:142790)
PTUBP (CHEBI:233137) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]-3-[4-(trifluoromethyl)phenyl]urea
Synonym  Source
dual inhibitor PTUPBSUBMITTER
Citations