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Ask your administrator if you think this is wrong. ====== A-366 10μM R03 exp115 ====== ==== Mechanism of Action ==== Inhibits G9a/EHMT1, blocks methylation of H3K9 * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%CID 76285486%% * **<color #00a2e8>Synonyms:</color>** N/A * **<color #00a2e8>CAS #:</color>** 1527503-11-2 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/76285486|76285486]] * **<color #00a2e8>IUPAC:</color>** %%5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) * **<color #00a2e8>INCHI Key:</color>** BKCDJTRMYWSXMC-UHFFFAOYSA-N * **<color #00a2e8>Molecular Weight:</color>** 329.4 * **<color #00a2e8>Canonical SMILES:</color>** COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4 * **<color #00a2e8>Isomeric SMILES:</color>** N/A * **<color #00a2e8>Molecular Formula:</color>** C19H27N3O2 {{:chemogenomics:structures:chem-0071.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Structural Genomics Consortium * **<color #00a2e8>Catalog #:</color>** N/A * **<color #00a2e8>Lot #:</color>** N/A </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C19H27N3O2 330.2176; found 330.21771 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** A366 * **<color #00a2e8>Min:</color>** 2.0657; **<color #00a2e8>Max:</color>** 13.4619 {{:chemogenomics:dose_response:dr_64.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |N/A | | IC30 |N/A | | IC40 |N/A | | IC50 |N/A | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 03 * **<color #00a2e8>Dose</color>**: 10µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 7.4 * **<color #00a2e8>Numbers of reads</color>**: 10792747 ==== 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^ |0/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/A-366_10uM_Round-3_exp115.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="default" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>| <modal id='ScorePlot' size='lg' title='A-366 10μM R03 exp115'> {{:chemogenomics:cranks_plots:exp115.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:O:ODC1|ODC1]]|-2.41|0.42| |[[:human_genes:P:PMPCA|PMPCA]]|-2.38|0.65| |[[:human_genes:G:GBX1|GBX1]]|-2.37|0.42| |[[:human_genes:A:ADH6|ADH6]]|-2.27|0.42| |[[:human_genes:S:SUV39H1|SUV39H1]]|-2.24|0.65| |[[:human_genes:S:SUV39H2|SUV39H2]]|-2.22|0.42| |[[:human_genes:W:WDR12|WDR12]]|-2.21|0.65| |[[:human_genes:S:SLC27A5|SLC27A5]]|-2.21|0.42| |[[:human_genes:A:ALG5|ALG5]]|-2.20|0.65| |[[:human_genes:H:HDAC8|HDAC8]]|-2.16|0.65| |[[:human_genes:N:NT5DC2|NT5DC2]]|-2.08|0.65| |[[:human_genes:S:STIM2|STIM2]]|-2.05|0.65| |[[:human_genes:P:PMM2|PMM2]]|-2.03|0.65| |[[:human_genes:L:LCTL|LCTL]]|-2.02|0.65| |[[:human_genes:T:TRIM26|TRIM26]]|-2.01|0.65| |[[:human_genes:Z:ZNF491|ZNF491]]|-1.97|0.65| |[[:human_genes:D:DOLK|DOLK]]|-1.96|0.65| |[[:human_genes:T:TSSC4|TSSC4]]|-1.95|0.65| |[[:human_genes:F:FLI1|FLI1]]|-1.91|0.65| |[[:human_genes:R:RECQL5|RECQL5]]|-1.90|0.65| |[[:human_genes:C:CBX3|CBX3]]|-1.89|0.65| |[[:human_genes:C:CCNJ|CCNJ]]|-1.89|0.65| |[[:human_genes:P:POLR3E|POLR3E]]|-1.89|0.76| |[[:human_genes:M:MAL2|MAL2]]|-1.88|0.82| |[[:human_genes:R:RCHY1|RCHY1]]|-1.88|0.65| |[[:human_genes:H:HARS|HARS]]|-1.87|0.84| |[[:human_genes:P:PYY|PYY]]|-1.86|0.65| |[[:human_genes:T:THG1L|THG1L]]|-1.86|0.65| |[[:human_genes:T:TRIM23|TRIM23]]|-1.85|0.65| |[[:human_genes:D:DIRAS3|DIRAS3]]|-1.83|0.65| |[[:human_genes:C:CHEK1|CHEK1]]|1.95|0.63| |[[:human_genes:P:PHF3|PHF3]]|1.96|0.53| |[[:human_genes:P:PPP3CA|PPP3CA]]|1.96|0.54| |[[:human_genes:K:KIF11|KIF11]]|1.96|0.82| |[[:human_genes:P:PKD2L1|PKD2L1]]|1.96|0.54| |[[:human_genes:P:POLR2B|POLR2B]]|1.97|0.67| |[[:human_genes:T:TARS|TARS]]|2.03|0.63| |[[:human_genes:F:FAM217A|FAM217A]]|2.04|0.37| |[[:human_genes:D:DNAJC24|DNAJC24]]|2.05|0.37| |[[:human_genes:C:CNOT2|CNOT2]]|2.06|0.37| |[[:human_genes:B:BLMH|BLMH]]|2.07|0.37| |[[:human_genes:L:LOC650293|LOC650293]]|2.08|0.55| |[[:human_genes:P:PHF6|PHF6]]|2.09|0.37| |[[:human_genes:Z:ZNF579|ZNF579]]|2.10|0.54| |[[:human_genes:R:RFWD3|RFWD3]]|2.15|0.31| |[[:human_genes:L:LRIG2|LRIG2]]|2.18|0.31| |[[:human_genes:P:PCDHGB4|PCDHGB4]]|2.18|0.53| |[[:human_genes:S:SNRPG|SNRPG]]|2.19|0.63| |[[:human_genes:C:COL4A5|COL4A5]]|2.20|0.31| |[[:human_genes:C:C17orf75|C17orf75]]|2.27|0.31| |[[:human_genes:Z:ZNF571|ZNF571]]|2.28|0.31| |[[:human_genes:S:SMC2|SMC2]]|2.31|0.63| |[[:human_genes:N:NEDD1|NEDD1]]|2.33|0.53| |[[:human_genes:P:PDS5B|PDS5B]]|2.36|0.23| |[[:human_genes:C:C14orf178|C14orf178]]|2.39|0.23| |[[:human_genes:T:TGM1|TGM1]]|2.52|0.18| |[[:human_genes:C:CCT8|CCT8]]|2.67|0.31| |[[:human_genes:R:RPL34|RPL34]]|2.69|0.37| |[[:human_genes:T:TFRC|TFRC]]|2.71|0.63| |[[:human_genes:K:KDM3B|KDM3B]]|2.93|0.03| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> No correlation data above threshold. (correlation > 0.05) </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal> Last modified: 2026/01/15 21:36by 127.0.0.1