====== 2-Methoxyestradiol 0.2μM R01 exp40 ====== ==== Mechanism of Action ==== Endogenous estradiol metabolite, weak agonist for estrogen receptor, agonist of GPER1, microtubule destabilizer * **Class / Subclass 1:** Metabolism / Metabolite * **Class / Subclass 2:** Signal Transduction / GPCR Agonist * **Class / Subclass 3:** Cell Cycle / Microtubule Poison ==== Technical Notes ==== * **PubChem Name:** %%2-Methoxyestradiol%% * **Synonyms:** 2-ME2; NSC-659853 * **CAS #:** 362-07-2 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/66414|66414]] * **IUPAC:** %%(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%% * **INCHI Name:** 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 * **INCHI Key:** CQOQDQWUFQDJMK-SSTWWWIQSA-N * **Molecular Weight:** 302.4 * **Canonical SMILES:** CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O * **Isomeric SMILES:** C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O * **Molecular Formula:** C19H26O3 {{:chemogenomics:structures:chem-0021.svg?nolink}} * **Supplier Name:** Toronto Research Chemicals * **Catalog #:** M262625 * **Lot #:** 1-GNM-86-4 * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C19H26O3 303.19547; found 303.19491 * **Platform ID:** 2-METHOXYESTRADIOL * **Min:** -13.1327; **Max:** 72.1806 {{:chemogenomics:dose_response:dr_59.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |0.5415 | | IC30 |0.9352 | | IC40 |1.4635 | | IC50 |2.2073 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 01 * **Dose**: 200nM * **Days of incubation**: 8 * **Doublings**: 7.0 * **Numbers of reads**: 13228670 ==== 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^ |0/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/2-Methoxyestradiol_0.2uM_Round-1_exp40.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp40.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:M:MRPL38|MRPL38]]|-2.73|0.73| |[[:human_genes:M:MAGEB17|MAGEB17]]|-2.68|0.73| |[[:human_genes:N:NSMCE1|NSMCE1]]|-2.61|0.73| |[[:human_genes:R:RSRC2|RSRC2]]|-2.60|0.73| |[[:human_genes:C:CAMLG|CAMLG]]|-2.38|0.73| |[[:human_genes:E:ERCC2|ERCC2]]|-2.38|0.73| |[[:human_genes:G:GKAP1|GKAP1]]|-2.29|0.83| |[[:human_genes:C:CD28|CD28]]|-2.28|0.73| |[[:human_genes:Z:ZNF512|ZNF512]]|-2.27|0.73| |[[:human_genes:G:GPC4|GPC4]]|-2.23|0.73| |[[:human_genes:H:HEPN1|HEPN1]]|-2.23|0.73| |[[:human_genes:T:TIMM21|TIMM21]]|-2.22|0.73| |[[:human_genes:T:TOP1|TOP1]]|-2.22|0.73| |[[:human_genes:G:GAS1|GAS1]]|-2.20|0.73| |[[:human_genes:D:DGKB|DGKB]]|-2.19|0.73| |[[:human_genes:M:MYO3A|MYO3A]]|-2.14|0.73| |[[:human_genes:P:PAXIP1|PAXIP1]]|-2.13|0.73| |[[:human_genes:T:TBCD|TBCD]]|-2.13|0.73| |[[:human_genes:D:DHX33|DHX33]]|-2.10|0.73| |[[:human_genes:P:PPP1CB|PPP1CB]]|-2.09|0.83| |[[:human_genes:C:C5orf49|C5orf49]]|-2.09|0.73| |[[:human_genes:N:NARS|NARS]]|-2.09|0.74| |[[:human_genes:U:UHRF1|UHRF1]]|-2.08|0.73| |[[:human_genes:S:SLC22A14|SLC22A14]]|-2.08|0.73| |[[:human_genes:A:AHCY|AHCY]]|-2.08|0.73| |[[:human_genes:C:CHGB|CHGB]]|-2.08|0.74| |[[:human_genes:U:URI1|URI1]]|-2.06|0.73| |[[:human_genes:U:USP16|USP16]]|-2.06|0.73| |[[:human_genes:G:GMPPB|GMPPB]]|-2.06|0.73| |[[:human_genes:C:CDC20B|CDC20B]]|-2.05|0.76| |[[:human_genes:M:MARVELD1|MARVELD1]]|2.13|0.74| |[[:human_genes:T:TRIM26|TRIM26]]|2.13|0.68| |[[:human_genes:R:RFC1|RFC1]]|2.15|0.69| |[[:human_genes:P:PSMD14|PSMD14]]|2.15|0.69| |[[:human_genes:R:RPL27|RPL27]]|2.16|0.69| |[[:human_genes:A:ACMSD|ACMSD]]|2.16|0.67| |[[:human_genes:C:CCDC109B|CCDC109B]]|2.17|0.67| |[[:human_genes:P:POLR2K|POLR2K]]|2.19|0.69| |[[:human_genes:P:PSMB4|PSMB4]]|2.23|0.67| |[[:human_genes:Z:ZNF431|ZNF431]]|2.23|0.69| |[[:human_genes:E:ERI2|ERI2]]|2.24|0.67| |[[:human_genes:R:RPA3|RPA3]]|2.24|0.67| |[[:human_genes:H:HINFP|HINFP]]|2.26|0.67| |[[:human_genes:N:NPHS2|NPHS2]]|2.26|0.67| |[[:human_genes:P:POLE|POLE]]|2.30|0.67| |[[:human_genes:G:GPRIN2|GPRIN2]]|2.30|0.67| |[[:human_genes:R:RBM39|RBM39]]|2.32|0.68| |[[:human_genes:R:RUVBL2|RUVBL2]]|2.34|0.69| |[[:human_genes:T:TMEM251|TMEM251]]|2.36|0.68| |[[:human_genes:A:ACO2|ACO2]]|2.38|0.69| |[[:human_genes:T:TTK|TTK]]|2.38|0.68| |[[:human_genes:B:B3GNT4|B3GNT4]]|2.39|0.67| |[[:human_genes:A:ASB8|ASB8]]|2.39|0.68| |[[:human_genes:C:CPM|CPM]]|2.41|0.67| |[[:human_genes:U:UBA52|UBA52]]|2.44|0.69| |[[:human_genes:N:NOP2|NOP2]]|2.48|0.67| |[[:human_genes:A:ATP6AP2|ATP6AP2]]|2.50|0.67| |[[:human_genes:S:SUPT6H|SUPT6H]]|2.54|0.68| |[[:human_genes:P:PAF1|PAF1]]|2.76|0.67| |[[:human_genes:T:TICRR|TICRR]]|2.77|0.67| ^Screen^Correlation^Plot^ |[[:results:exp49|NFN1 0.1μM R01 exp49]]|0.085|| |[[:results:exp53|Suberoylanilide-Hydroxamic-Acid 0.02μM R01 exp53]]|0.052|| {{:chemogenomics:comparison_plots:exp40_vs_exp49.png?nolink |}} {{:chemogenomics:comparison_plots:exp40_vs_exp53.png?nolink |}} No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)