====== Sulforaphane 9μM R08 exp525 ====== ==== Mechanism of Action ==== Organosulfur compound, found in cruciferous plants * **Class / Subclass 1:** Uncharacterized Mechanism / Natural Product ==== Technical Notes ==== * **PubChem Name:** %%Sulforaphane%% * **Synonyms:** N/A * **CAS #:** 4478-93-7 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/5350|5350]] * **IUPAC:** %%1-isothiocyanato-4-methylsulfinylbutane%% * **INCHI Name:** InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3 * **INCHI Key:** SUVMJBTUFCVSAD-UHFFFAOYSA-N * **Molecular Weight:** 177.3 * **Canonical SMILES:** CS(=O)CCCCN=C=S * **Isomeric SMILES:** N/A * **Molecular Formula:** C6H11NOS2 {{:chemogenomics:structures:chem-0330.svg?nolink}} * **Supplier Name:** Toronto Research Chemicals * **Catalog #:** S699115 * **Lot #:** 5-YMK-45-1 * **HRMS (ESI-TOF) m/z:** (M+Na)+ Calcd for C6H11NOS2 200.01743; found 200.01687 * **Platform ID:** Sulforaphane * **Min:** -21.7878; **Max:** 99.8167 {{:chemogenomics:dose_response:dr_582.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |8.1350 | | IC20 |8.8770 | | IC30 |9.4080 | | IC40 |9.8670 | | IC50 |10.3100 | | IC60 |10.7700 | | IC70 |11.2900 | | IC80 |11.9700 | | IC90 |13.0600 | \\ ==== Screen Summary ==== * **Round**: 08 * **Dose**: 9µM * **Days of incubation**: 8 * **Doublings**: 0.9 * **Numbers of reads**: 17245876 ==== Screen Results ==== ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |2/24|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Sulforaphane_9uM_Round-8_exp525.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp525.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:C:CHD8|CHD8]]|-3.27|<0.01| |[[:human_genes:G:GAK|GAK]]|-3.16|<0.01| |[[:human_genes:N:NPRL2|NPRL2]]|-2.92|0.05| |[[:human_genes:R:RUVBL1|RUVBL1]]|-2.73|0.34| |[[:human_genes:T:TCF4|TCF4]]|-2.57|0.05| |[[:human_genes:U:UBE2N|UBE2N]]|-2.53|0.05| |[[:human_genes:V:VBP1|VBP1]]|-2.53|0.05| |[[:human_genes:P:PSMB8|PSMB8]]|-2.45|0.07| |[[:human_genes:A:ADNP|ADNP]]|-2.42|0.08| |[[:human_genes:C:C18orf32|C18orf32]]|-2.40|0.41| |[[:human_genes:O:OTUB1|OTUB1]]|-2.37|0.15| |[[:human_genes:S:STMN1|STMN1]]|-2.37|0.15| |[[:human_genes:A:ANAPC11|ANAPC11]]|-2.35|0.32| |[[:human_genes:Q:QRICH1|QRICH1]]|-2.33|0.12| |[[:human_genes:I:IFIT2|IFIT2]]|-2.31|0.15| |[[:human_genes:T:TACC3|TACC3]]|-2.28|0.14| |[[:human_genes:D:DEPDC5|DEPDC5]]|-2.27|0.16| |[[:human_genes:P:PREB|PREB]]|-2.25|0.28| |[[:human_genes:B:BRAP|BRAP]]|-2.22|0.15| |[[:human_genes:R:RPS28|RPS28]]|-2.21|0.38| |[[:human_genes:D:DLGAP5|DLGAP5]]|-2.20|0.15| |[[:human_genes:R:RANBP1|RANBP1]]|-2.18|0.15| |[[:human_genes:U:UBA1|UBA1]]|-2.18|0.50| |[[:human_genes:R:REST|REST]]|-2.17|0.15| |[[:human_genes:K:KIF22|KIF22]]|-2.15|0.16| |[[:human_genes:L:LMO2|LMO2]]|-2.15|0.16| |[[:human_genes:P:PPME1|PPME1]]|-2.12|0.28| |[[:human_genes:T:TMEM30A|TMEM30A]]|-2.10|0.19| |[[:human_genes:K:KIF4A|KIF4A]]|-2.03|0.26| |[[:human_genes:M:MTMR4|MTMR4]]|-2.03|0.26| |[[:human_genes:I:IGLL1|IGLL1]]|2.24|0.12| |[[:human_genes:M:MCM7|MCM7]]|2.25|0.20| |[[:human_genes:A:AKT1|AKT1]]|2.25|0.07| |[[:human_genes:C:CNBP|CNBP]]|2.27|0.06| |[[:human_genes:T:TEFM|TEFM]]|2.38|0.03| |[[:human_genes:P:PDPK1|PDPK1]]|2.40|0.03| |[[:human_genes:S:SLC39A10|SLC39A10]]|2.48|0.02| |[[:human_genes:P:PML|PML]]|2.51|0.02| |[[:human_genes:T:TP53|TP53]]|2.52|0.04| |[[:human_genes:M:MT1A|MT1A]]|2.53|0.07| |[[:human_genes:S:SYK|SYK]]|2.55|0.02| |[[:human_genes:S:SCD|SCD]]|2.56|0.03| |[[:human_genes:E:ELAVL1|ELAVL1]]|2.57|0.01| |[[:human_genes:S:SCAP|SCAP]]|2.59|0.01| |[[:human_genes:T:TMEM208|TMEM208]]|2.62|0.01| |[[:human_genes:L:LOC391322|LOC391322]]|2.70|0.45| |[[:human_genes:P:PQBP1|PQBP1]]|2.84|<0.01| |[[:human_genes:C:CD79B|CD79B]]|3.11|0.00| |[[:human_genes:E:EIF4A1|EIF4A1]]|3.13|<0.01| |[[:human_genes:C:CD19|CD19]]|3.15|<0.01| |[[:human_genes:R:RHOH|RHOH]]|3.24|0.00| |[[:human_genes:S:SLC4A7|SLC4A7]]|3.39|0.00| |[[:human_genes:A:AKT2|AKT2]]|3.49|0.00| |[[:human_genes:C:CD81|CD81]]|3.58|0.00| |[[:human_genes:S:SRM|SRM]]|3.64|0.00| |[[:human_genes:R:RICTOR|RICTOR]]|3.65|0.00| |[[:human_genes:M:MLST8|MLST8]]|4.42|0.00| |[[:human_genes:P:PIK3CD|PIK3CD]]|4.57|0.00| |[[:human_genes:M:MAPKAP1|MAPKAP1]]|4.73|0.00| |[[:human_genes:A:AHCYL1|AHCYL1]]|4.86|0.00| ^Screen^Correlation^Plot^ |[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.297|| |[[:results:exp535|Trimetrexate 0.03μM R08 exp535]]|0.074|| |[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.071|| |[[:results:exp103|Taxol 0.004μM R03 exp103]]|0.066|| |[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.065|| |[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.098|| |[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.096|| |[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.094|| |[[:results:exp520|Rucaparib 6.5μM R08 exp520]]|0.088|| |[[:results:exp134|MS023 2μM R03 exp134]]|0.084|| |[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.08|| |[[:results:exp512|Olaparib 4μM R08 exp512]]|0.079|| |[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.078|| |[[:results:exp453|B02 10μM R08 exp453]]|0.076|| |[[:results:exp102|Nifuroxazide 5μM R03 exp102]]|0.074|| |[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.071|| |[[:results:exp498|Lead acetate 2000μM R08 exp498 no dilution day6]]|0.069|| |[[:results:exp517|Quercetin 20μM R08 exp517]]|0.069|| |[[:results:exp116|AICAR 240μM R03 exp116]]|0.068|| |[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.068|| |[[:results:exp334|All-trans-Retinoic-Acid 40μM R07 exp334]]|0.066|| |[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.066|| |[[:results:exp264|Arsenate 40μM R06 exp264]]|0.064|| |[[:results:exp179|Combretastatin A4 0.002 to 0.003μM day4 R04 exp179]]|0.062|| |[[:results:exp294|Nutlin-3A 1.6μM R06 exp294]]|0.061|| |[[:results:exp485|GSK626616 14μM R08 exp485]]|0.061|| |[[:results:exp455|Benzoate 10000μM R08 exp455]]|0.057|| |[[:results:exp184|Ixabepilone 0.004 to 0.005μM on day4 R04 exp184]]|0.056|| |[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.055|| |[[:results:exp274|Citral 50μM R06 exp274]]|0.053|| |[[:results:exp228|Demecolcine 0.03μM R05 exp228]]|0.052|| |[[:results:exp78|Pterostilbene 16μM R02 exp78]]|0.052|| |[[:results:exp354|Diepoxybutane 3μM R07 exp354]]|0.052|| |[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.052|| |[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.051|| {{:chemogenomics:comparison_plots:exp525_vs_exp526.png?nolink |}} {{:chemogenomics:comparison_plots:exp525_vs_exp535.png?nolink |}} {{:chemogenomics:comparison_plots:exp525_vs_exp529.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp190_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp489_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp488_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp440_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp520_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp234_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp512_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp456_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp453_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp102_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp497_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp498_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp517_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp116_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp468_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp334_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp21_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp264_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp179_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp294_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp485_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp455_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp184_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp460_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp274_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp228_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp525_vs_exp78.png?nolink |}} {{:chemogenomics:comparison_plots:exp354_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp500_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp445_vs_exp525.png?nolink |}} No GO term hits below threshold. (FDR <0.05) ^GO Term^Fold Change^Genes^ |negative regulation of long-chain fatty acid import into cell|368.20|AKT2,AKT1| |negative regulation of long-chain fatty acid import across plasma membrane|368.20|AKT2,AKT1| |TORC2 complex|207.11|MAPKAP1,MLST8,RICTOR| |immunoglobulin complex|165.69|CD79B,SYK,IGLL1| |B cell receptor signaling pathway|51.38|PIK3CD,CD19,CD79B,SYK| |positive regulation of TOR signaling|33.47|MLST8,RICTOR,SYK,AKT1| |protein import into nucleus|25.57|ELAVL1,SYK,TP53,PML,AKT1| |import into nucleus|24.44|ELAVL1,SYK,TP53,PML,AKT1| |B cell differentiation|21.57|PIK3CD,CD19,CD79B,SYK,TP53| |positive regulation of lipid metabolic process|20.01|MLST8,AKT2,CD19,AKT1,STARD4| |nuclear transport|14.10|AHCYL1,ELAVL1,SYK,TP53,PML,AKT1| |nucleocytoplasmic transport|14.10|AHCYL1,ELAVL1,SYK,TP53,PML,AKT1| |leukocyte differentiation|9.29|PIK3CD,CD81,RHOH,CD19,CD79B,SYK,TP53| |positive regulation of phosphorylation|7.78|MAPKAP1,MLST8,RICTOR,AKT2,CD19,SYK,TP53,PDPK1,AKT1| |positive regulation of protein phosphorylation|7.50|MAPKAP1,MLST8,RICTOR,AKT2,SYK,TP53,PDPK1,AKT1| |positive regulation of phosphate metabolic process|7.06|MAPKAP1,MLST8,RICTOR,AKT2,CD19,SYK,TP53,PDPK1,AKT1| |positive regulation of phosphorus metabolic process|7.05|MAPKAP1,MLST8,RICTOR,AKT2,CD19,SYK,TP53,PDPK1,AKT1| |positive regulation of protein modification process|6.32|MAPKAP1,MLST8,RICTOR,AKT2,SYK,TP53,PML,PDPK1,AKT1| |positive regulation of immune system process|5.84|PIK3CD,CD81,RHOH,CD19,CD79B,PQBP1,SYK,SLC39A10,PDPK1,AKT1|