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Ask your administrator if you think this is wrong. ====== 2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 ====== ==== Mechanism of Action ==== Endogenous estradiol metabolite, weak agonist for estrogen receptor, agonist of GPER1, microtubule destabilizer * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Metabolite * **<color #00a2e8>Class / Subclass 2:</color>** Signal Transduction / GPCR Agonist * **<color #00a2e8>Class / Subclass 3:</color>** Cell Cycle / Microtubule Poison ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%2-Methoxyestradiol%% * **<color #00a2e8>Synonyms:</color>** 2-ME2; NSC-659853 * **<color #00a2e8>CAS #:</color>** 362-07-2 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/66414|66414]] * **<color #00a2e8>IUPAC:</color>** %%(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 * **<color #00a2e8>INCHI Key:</color>** CQOQDQWUFQDJMK-SSTWWWIQSA-N * **<color #00a2e8>Molecular Weight:</color>** 302.4 * **<color #00a2e8>Canonical SMILES:</color>** CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O * **<color #00a2e8>Isomeric SMILES:</color>** C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O * **<color #00a2e8>Molecular Formula:</color>** C19H26O3 {{:chemogenomics:structures:chem-0021.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals * **<color #00a2e8>Catalog #:</color>** M262625 * **<color #00a2e8>Lot #:</color>** 1-GNM-86-4 </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C19H26O3 303.19547; found 303.19491 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** Methoxy_b-Estradiol * **<color #00a2e8>Min:</color>** -4.8666; **<color #00a2e8>Max:</color>** 98.0088 {{:chemogenomics:dose_response:dr_390.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |0.1847 | | IC30 |0.2756 | | IC40 |0.3897 | | IC50 |0.5415 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 07 * **<color #00a2e8>Dose</color>**: 0.55-0.75µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 6.0 * **<color #00a2e8>Numbers of reads</color>**: 16966830 ==== 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^ |9/4|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/2-Methoxyestradiol_0.55-0.75day4uM_Round-7_exp311.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>| <modal id='ScorePlot' size='lg' title='2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311'> {{:chemogenomics:cranks_plots:exp311.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:K:KNTC1|KNTC1]]|-3.80|<0.01| |[[:human_genes:B:BRD1|BRD1]]|-3.24|<0.01| |[[:human_genes:A:ASPM|ASPM]]|-3.16|<0.01| |[[:human_genes:M:MSI2|MSI2]]|-3.15|<0.01| |[[:human_genes:P:PSMA2|PSMA2]]|-2.85|0.08| |[[:human_genes:T:TCF4|TCF4]]|-2.80|0.01| |[[:human_genes:R:RBM26|RBM26]]|-2.71|0.03| |[[:human_genes:P:PDS5B|PDS5B]]|-2.69|0.02| |[[:human_genes:S:SEPHS1|SEPHS1]]|-2.64|0.02| |[[:human_genes:N:NPRL3|NPRL3]]|-2.57|0.11| |[[:human_genes:N:NPRL2|NPRL2]]|-2.47|0.05| |[[:human_genes:F:FRMPD4|FRMPD4]]|-2.43|0.06| |[[:human_genes:Q:QRICH1|QRICH1]]|-2.40|0.20| |[[:human_genes:S:SGOL1|SGOL1]]|-2.40|0.06| |[[:human_genes:I:INTS3|INTS3]]|-2.38|0.20| |[[:human_genes:A:ADH7|ADH7]]|-2.29|0.10| |[[:human_genes:T:TSC1|TSC1]]|-2.24|0.20| |[[:human_genes:S:SEPHS2|SEPHS2]]|-2.24|0.12| |[[:human_genes:U:UHRF1|UHRF1]]|-2.19|0.23| |[[:human_genes:F:FBXL18|FBXL18]]|-2.18|0.15| |[[:human_genes:I:IPO9|IPO9]]|-2.16|0.25| |[[:human_genes:S:SIRPD|SIRPD]]|-2.12|0.26| |[[:human_genes:M:MOCS3|MOCS3]]|-2.11|0.27| |[[:human_genes:C:CALM2|CALM2]]|-2.10|0.27| |[[:human_genes:R:RBBP4|RBBP4]]|-2.07|0.23| |[[:human_genes:T:TCF3|TCF3]]|-2.07|0.39| |[[:human_genes:A:ASB3|ASB3]]|-2.07|0.30| |[[:human_genes:I:INTS12|INTS12]]|-2.03|0.25| |[[:human_genes:R:RSRC2|RSRC2]]|-2.02|0.58| |[[:human_genes:T:TEX15|TEX15]]|-2.02|0.26| |[[:human_genes:I:ING4|ING4]]|1.98|0.34| |[[:human_genes:M:MEIS3|MEIS3]]|1.98|0.43| |[[:human_genes:P:PTS|PTS]]|2.01|0.33| |[[:human_genes:T:TRPV3|TRPV3]]|2.02|0.39| |[[:human_genes:K:KIR2DL4|KIR2DL4]]|2.05|0.36| |[[:human_genes:H:HEPHL1|HEPHL1]]|2.07|0.36| |[[:human_genes:K:KIF2C|KIF2C]]|2.10|0.22| |[[:human_genes:C:CHAF1A|CHAF1A]]|2.12|0.44| |[[:human_genes:N:NUDCD1|NUDCD1]]|2.13|0.21| |[[:human_genes:E:EFCAB9|EFCAB9]]|2.16|0.19| |[[:human_genes:C:COPS7B|COPS7B]]|2.18|0.18| |[[:human_genes:W:WEE1|WEE1]]|2.21|0.44| |[[:human_genes:S:SLAIN1|SLAIN1]]|2.24|0.22| |[[:human_genes:P:PROC|PROC]]|2.25|0.16| |[[:human_genes:P:PPP1CA|PPP1CA]]|2.25|0.21| |[[:human_genes:P:PPP2R1A|PPP2R1A]]|2.28|0.15| |[[:human_genes:H:H2AFZ|H2AFZ]]|2.29|0.15| |[[:human_genes:E:EN1|EN1]]|2.31|0.15| |[[:human_genes:A:AXIN1|AXIN1]]|2.33|0.18| |[[:human_genes:P:PIGO|PIGO]]|2.35|0.18| |[[:human_genes:N:NUMA1|NUMA1]]|2.41|0.15| |[[:human_genes:A:ARHGAP11B|ARHGAP11B]]|2.41|0.14| |[[:human_genes:U:USP27X|USP27X]]|2.43|0.58| |[[:human_genes:C:CDC27|CDC27]]|2.46|0.43| |[[:human_genes:F:FBXO5|FBXO5]]|2.50|0.15| |[[:human_genes:W:WDR75|WDR75]]|2.52|0.24| |[[:human_genes:K:KIF4A|KIF4A]]|2.71|0.03| |[[:human_genes:T:TIPRL|TIPRL]]|2.85|0.02| |[[:human_genes:L:LCMT1|LCMT1]]|3.10|<0.01| |[[:human_genes:K:KIF18B|KIF18B]]|4.37|<0.01| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp310|2-Methoxyestradiol 0.55μM R07 exp310]]|0.187|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp312|2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312]]|0.172|<button type="primary" size="small" modal="2">View</button>| |[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.105|<button type="primary" size="small" modal="3">View</button>| |[[:results:exp179|Combretastatin A4 0.002 to 0.003μM day4 R04 exp179]]|0.097|<button type="primary" size="small" modal="4">View</button>| |[[:results:exp228|Demecolcine 0.03μM R05 exp228]]|0.095|<button type="primary" size="small" modal="5">View</button>| |[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.095|<button type="primary" size="small" modal="6">View</button>| |[[:results:exp59|UMK57 1μM R01 exp59]]|0.08|<button type="primary" size="small" modal="7">View</button>| |[[:results:exp184|Ixabepilone 0.004 to 0.005μM on day4 R04 exp184]]|0.079|<button type="primary" size="small" modal="8">View</button>| |[[:results:exp243|S-trityl-L-cysteine 0.5μM R05 exp243]]|0.075|<button type="primary" size="small" modal="9">View</button>| |[[:results:exp215|Colchicine 0.009μM R05 exp215]]|0.072|<button type="primary" size="small" modal="10">View</button>| |[[:results:exp107|UMK57 0.6μM R03 exp107]]|0.069|<button type="primary" size="small" modal="11">View</button>| |[[:results:exp517|Quercetin 20μM R08 exp517]]|0.064|<button type="primary" size="small" modal="12">View</button>| |[[:results:exp356|Docosahexaenoic-acid 50μM R07 exp356]]|0.062|<button type="primary" size="small" modal="13">View</button>| |[[:results:exp360|Genistein 15μM R07 exp360]]|0.062|<button type="primary" size="small" modal="14">View</button>| |[[:results:exp162|BI-D1870 2μM R04 exp162]]|0.06|<button type="primary" size="small" modal="15">View</button>| |[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.06|<button type="primary" size="small" modal="16">View</button>| |[[:results:exp46|HMS-I1 1μM R01 exp46]]|0.059|<button type="primary" size="small" modal="17">View</button>| |[[:results:exp405|Tenofovir 10μM R07 exp405]]|0.056|<button type="primary" size="small" modal="18">View</button>| |[[:results:exp67|BVD-523 15μM R02 exp67]]|0.051|<button type="primary" size="small" modal="19">View</button>| </modal> <modal id="1" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs 2-Methoxyestradiol 0.55μM R07 exp310"> {{:chemogenomics:comparison_plots:exp310_vs_exp311.png?nolink |}} </modal> <modal id="2" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs 2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312"> {{:chemogenomics:comparison_plots:exp311_vs_exp312.png?nolink |}} </modal> <modal id="3" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Mdivi-1 15μM R05 exp217"> {{:chemogenomics:comparison_plots:exp217_vs_exp311.png?nolink |}} </modal> <modal id="4" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Combretastatin A4 0.002 to 0.003μM day4 R04 exp179"> {{:chemogenomics:comparison_plots:exp179_vs_exp311.png?nolink |}} </modal> <modal id="5" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Demecolcine 0.03μM R05 exp228"> {{:chemogenomics:comparison_plots:exp228_vs_exp311.png?nolink |}} </modal> <modal id="6" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs BML-284 0.09μM R08 exp460"> {{:chemogenomics:comparison_plots:exp311_vs_exp460.png?nolink |}} </modal> <modal id="7" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs UMK57 1μM R01 exp59"> {{:chemogenomics:comparison_plots:exp311_vs_exp59.png?nolink |}} </modal> <modal id="8" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Ixabepilone 0.004 to 0.005μM on day4 R04 exp184"> {{:chemogenomics:comparison_plots:exp184_vs_exp311.png?nolink |}} </modal> <modal id="9" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs S-trityl-L-cysteine 0.5μM R05 exp243"> {{:chemogenomics:comparison_plots:exp243_vs_exp311.png?nolink |}} </modal> <modal id="10" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Colchicine 0.009μM R05 exp215"> {{:chemogenomics:comparison_plots:exp215_vs_exp311.png?nolink |}} </modal> <modal id="11" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs UMK57 0.6μM R03 exp107"> {{:chemogenomics:comparison_plots:exp107_vs_exp311.png?nolink |}} </modal> <modal id="12" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Quercetin 20μM R08 exp517"> {{:chemogenomics:comparison_plots:exp311_vs_exp517.png?nolink |}} </modal> <modal id="13" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Docosahexaenoic-acid 50μM R07 exp356"> {{:chemogenomics:comparison_plots:exp311_vs_exp356.png?nolink |}} </modal> <modal id="14" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Genistein 15μM R07 exp360"> {{:chemogenomics:comparison_plots:exp311_vs_exp360.png?nolink |}} </modal> <modal id="15" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs BI-D1870 2μM R04 exp162"> {{:chemogenomics:comparison_plots:exp162_vs_exp311.png?nolink |}} </modal> <modal id="16" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Vincristine 0.0005μM R04 exp190"> {{:chemogenomics:comparison_plots:exp190_vs_exp311.png?nolink |}} </modal> <modal id="17" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs HMS-I1 1μM R01 exp46"> {{:chemogenomics:comparison_plots:exp311_vs_exp46.png?nolink |}} </modal> <modal id="18" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs Tenofovir 10μM R07 exp405"> {{:chemogenomics:comparison_plots:exp311_vs_exp405.png?nolink |}} </modal> <modal id="19" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM on day4 R07 exp311 vs BVD-523 15μM R02 exp67"> {{:chemogenomics:comparison_plots:exp311_vs_exp67.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms"> ^GO Term^Fold Change^Genes^ |GATOR1 complex|614.04|NPRL3,NPRL2| </modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms"> ^GO Term^Fold Change^Genes^ |microtubule bundle|221.05|NUMA1,ATAT1| |microtubule plus-end|96.11|KIF18B,NUMA1,SLAIN1,KIF2C| |microtubule end|66.99|KIF18B,NUMA1,SLAIN1,KIF2C| |regulation of chromosome segregation|22.28|LCMT1,FBXO5,CDC27,NUMA1,KIF2C| |regulation of sister chromatid segregation|21.89|LCMT1,FBXO5,CDC27,NUMA1| |nuclear chromosome segregation|12.68|KIF18B,KIF4A,FBXO5,PPP2R1A,KIF2C| |microtubule cytoskeleton organization|10.27|KIF18B,KIF4A,FBXO5,NUMA1,AXIN1,PPP2R1A,SLAIN1,WEE1,KIF2C,ATAT1| |chromosome segregation|10.17|KIF18B,KIF4A,FBXO5,NUMA1,PPP2R1A,KIF2C| |spindle|9.34|KIF18B,KIF4A,FBXO5,CDC27,NUMA1,KIF2C,ATAT1| |cell division|8.75|KIF18B,KIF4A,FBXO5,CDC27,NUMA1,PPP1CA,WEE1,KIF2C| |mitotic cell cycle process|8.57|KIF18B,LCMT1,KIF4A,CDC27,NUMA1,PPP2R1A,WEE1,KIF2C| |microtubule-based process|7.80|KIF18B,KIF4A,FBXO5,NUMA1,AXIN1,PPP2R1A,SLAIN1,WEE1,EFCAB9,KIF2C,ATAT1| |mitotic cell cycle|7.37|KIF18B,LCMT1,KIF4A,CDC27,NUMA1,PPP2R1A,WEE1,KIF2C| |regulation of cell cycle process|7.19|LCMT1,TIPRL,FBXO5,CDC27,NUMA1,PPP2R1A,WEE1,KIF2C,ING4| |cell cycle process|5.70|KIF18B,LCMT1,KIF4A,FBXO5,CDC27,NUMA1,PPP2R1A,WEE1,KIF2C| </modal> Last modified: 2026/01/15 21:36by 127.0.0.1