====== MS023 2μM R03 exp134 ====== ==== Mechanism of Action ==== Inhibits protein arginine N-methyltransferase PRMT1 * **Class / Subclass 1:** Gene Regulation / Epigenetic Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%MS023 (dihydrochloride)%% * **Synonyms:** N/A * **CAS #:** 1992047-64-9 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/121513886|121513886]] * **IUPAC:** %%N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine;dihydrochloride%% * **INCHI Name:** InChI=1S/C17H25N3O.2ClH/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18;;/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3;2*1H * **INCHI Key:** HCNXCUFNZWGILO-UHFFFAOYSA-N * **Molecular Weight:** 360.3 * **Canonical SMILES:** CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN.Cl.Cl * **Isomeric SMILES:** N/A * **Molecular Formula:** C17H27Cl2N3O {{:chemogenomics:structures:chem-0086.svg?nolink}} * **Supplier Name:** Structural Genomics Consortium * **Catalog #:** N/A * **Lot #:** N/A * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C17H25N3O 288.20704; found 288.20735 * **Platform ID:** MS023 * **Min:** -6.0031; **Max:** 44.7664 {{:chemogenomics:dose_response:dr_94.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |3.5114 | | IC30 |7.8192 | | IC40 |15.0721 | | IC50 |N/A | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 03 * **Dose**: 2µM * **Days of incubation**: 8 * **Doublings**: 3.6 * **Numbers of reads**: 13885666 ==== 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^ |5/78|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/MS023_2uM_Round-3_exp134.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp134.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:L:LRRC63|LRRC63]]|-3.09|0.34| |[[:human_genes:C:CPSF7|CPSF7]]|-3.06|0.03| |[[:human_genes:M:MTF2|MTF2]]|-2.91|0.03| |[[:human_genes:G:GIGYF2|GIGYF2]]|-2.77|0.08| |[[:human_genes:C:CSK|CSK]]|-2.70|0.03| |[[:human_genes:R:RHOA|RHOA]]|-2.68|0.03| |[[:human_genes:V:VPS13D|VPS13D]]|-2.67|0.09| |[[:human_genes:P:PRMT1|PRMT1]]|-2.65|0.24| |[[:human_genes:C:CNOT8|CNOT8]]|-2.61|0.04| |[[:human_genes:E:EIF3L|EIF3L]]|-2.59|0.11| |[[:human_genes:A:ANKRD40|ANKRD40]]|-2.52|0.11| |[[:human_genes:S:SRM|SRM]]|-2.48|0.07| |[[:human_genes:B:BCL2L1|BCL2L1]]|-2.46|0.10| |[[:human_genes:C:CHTOP|CHTOP]]|-2.42|0.08| |[[:human_genes:V:VPS25|VPS25]]|-2.36|0.38| |[[:human_genes:H:HAPLN1|HAPLN1]]|-2.36|0.09| |[[:human_genes:N:NMT1|NMT1]]|-2.32|0.14| |[[:human_genes:T:TSTA3|TSTA3]]|-2.30|0.21| |[[:human_genes:U:UBE2N|UBE2N]]|-2.27|0.11| |[[:human_genes:R:RNF40|RNF40]]|-2.26|0.16| |[[:human_genes:S:SMS|SMS]]|-2.25|0.11| |[[:human_genes:G:GOLGA8H|GOLGA8H]]|-2.24|0.44| |[[:human_genes:K:KPNA2|KPNA2]]|-2.23|0.11| |[[:human_genes:X:XPR1|XPR1]]|-2.23|0.11| |[[:human_genes:A:ARFRP1|ARFRP1]]|-2.22|0.27| |[[:human_genes:W:WDR77|WDR77]]|-2.21|0.27| |[[:human_genes:R:RAPGEF2|RAPGEF2]]|-2.16|0.15| |[[:human_genes:K:KIDINS220|KIDINS220]]|-2.14|0.16| |[[:human_genes:G:GPR15|GPR15]]|-2.12|0.16| |[[:human_genes:E:EFR3A|EFR3A]]|-2.11|0.24| |[[:human_genes:A:ASUN|ASUN]]|2.96|<0.01| |[[:human_genes:E:ELP6|ELP6]]|3.00|<0.01| |[[:human_genes:V:VDAC2|VDAC2]]|3.06|<0.01| |[[:human_genes:H:HEATR3|HEATR3]]|3.08|<0.01| |[[:human_genes:R:RHOH|RHOH]]|3.10|<0.01| |[[:human_genes:P:PQBP1|PQBP1]]|3.11|<0.01| |[[:human_genes:G:GNAS|GNAS]]|3.13|<0.01| |[[:human_genes:M:MEMO1|MEMO1]]|3.14|<0.01| |[[:human_genes:B:BCL2L11|BCL2L11]]|3.23|<0.01| |[[:human_genes:M:MLST8|MLST8]]|3.28|<0.01| |[[:human_genes:A:ANKMY2|ANKMY2]]|3.28|<0.01| |[[:human_genes:R:RICTOR|RICTOR]]|3.31|<0.01| |[[:human_genes:P:PLAA|PLAA]]|3.33|<0.01| |[[:human_genes:D:DPH5|DPH5]]|3.40|<0.01| |[[:human_genes:P:PACS1|PACS1]]|3.44|<0.01| |[[:human_genes:T:TADA2A|TADA2A]]|3.53|<0.01| |[[:human_genes:M:MOCS3|MOCS3]]|3.63|<0.01| |[[:human_genes:S:SF1|SF1]]|3.71|<0.01| |[[:human_genes:A:APAF1|APAF1]]|3.74|<0.01| |[[:human_genes:D:DPH3|DPH3]]|3.77|<0.01| |[[:human_genes:A:AKT2|AKT2]]|3.90|<0.01| |[[:human_genes:K:KMT2D|KMT2D]]|3.97|<0.01| |[[:human_genes:U:UBQLN1|UBQLN1]]|4.01|<0.01| |[[:human_genes:A:ATIC|ATIC]]|4.07|<0.01| |[[:human_genes:N:NR2C2AP|NR2C2AP]]|4.27|<0.01| |[[:human_genes:P:PIK3CD|PIK3CD]]|4.31|<0.01| |[[:human_genes:M:MAPKAP1|MAPKAP1]]|4.40|<0.01| |[[:human_genes:B:BAK1|BAK1]]|4.63|<0.01| |[[:human_genes:C:C7orf26|C7orf26]]|4.87|<0.01| |[[:human_genes:T:TAF15|TAF15]]|5.14|<0.01| ^Screen^Correlation^Plot^ |[[:results:exp135|MS023 7μM R03 exp135]]|0.217|| |[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.094|| |[[:results:exp512|Olaparib 4μM R08 exp512]]|0.09|| |[[:results:exp525|Sulforaphane 9μM R08 exp525]]|0.084|| |[[:results:exp535|Trimetrexate 0.03μM R08 exp535]]|0.079|| |[[:results:exp102|Nifuroxazide 5μM R03 exp102]]|0.072|| |[[:results:exp85|UM0129480 7μM R02 exp85]]|0.071|| |[[:results:exp443|SNS-032 15μM R08 exp443]]|0.068|| |[[:results:exp502|Milciclib 2μM R08 exp502]]|0.067|| |[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.064|| |[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.06|| |[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.06|| |[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.059|| |[[:results:exp515|PU-H71 1μM R08 exp515]]|0.058|| |[[:results:exp520|Rucaparib 6.5μM R08 exp520]]|0.055|| |[[:results:exp294|Nutlin-3A 1.6μM R06 exp294]]|0.054|| |[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.052|| |[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.185|| |[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.162|| |[[:results:exp116|AICAR 240μM R03 exp116]]|0.154|| |[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.126|| |[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.108|| |[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.099|| |[[:results:exp211|AICAR 240μM R05 exp211]]|0.094|| |[[:results:exp485|GSK626616 14μM R08 exp485]]|0.092|| |[[:results:exp214|2-Deoxy-D-glucose 800μM R05 exp214]]|0.08|| |[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.079|| |[[:results:exp274|Citral 50μM R06 exp274]]|0.078|| |[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.076|| |[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.076|| |[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.072|| |[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.071|| |[[:results:exp330|5-Azacytidine 2μM R07 exp330]]|0.068|| |[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.067|| |[[:results:exp374|Latrunculin-B 10μM R07 exp374]]|0.067|| |[[:results:exp447|Amiloride 100μM R08 exp447]]|0.06|| |[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.06|| |[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.058|| |[[:results:exp505|ML-792 0.2μM R08 exp505]]|0.057|| |[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.057|| |[[:results:exp498|Lead acetate 2000μM R08 exp498 no dilution day6]]|0.056|| |[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.054|| |[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.053|| |[[:results:exp19|Etoposide 1μM R00 exp19]]|0.052|| |[[:results:exp264|Arsenate 40μM R06 exp264]]|0.052|| |[[:results:exp363|GSK-J4 1-1.25μM to day4 R07 exp363]]|0.052|| |[[:results:exp6|Bortezomib 0.005μM R00 exp6]]|0.051|| |[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.051|| {{:chemogenomics:comparison_plots:exp134_vs_exp135.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp524.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp512.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp535.png?nolink |}} {{:chemogenomics:comparison_plots:exp102_vs_exp134.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp85.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp443.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp502.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp531.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp503.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp526.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp80.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp515.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp520.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp294.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp527.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp489.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp488.png?nolink |}} {{:chemogenomics:comparison_plots:exp116_vs_exp134.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp234.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp456.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp440.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp211.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp485.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp214.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp21.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp274.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp450.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp474.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp459.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp330.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp259.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp374.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp447.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp478.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp3.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp505.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp497.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp498.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp500.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp2.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp19.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp264.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp363.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp6.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp199.png?nolink |}} ^GO Term^Fold Change^Genes^ |viral process|15.74|PRMT1,EIF3L,BCL2L1,KPNA2,XPR1,GPR15| ^GO Term^Fold Change^Genes^ |TORC2 complex|207.24|MAPKAP1,RICTOR,MLST8| |tRNA wobble uridine modification|103.62|DPH3,MOCS3,ELP6|