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Ask your administrator if you think this is wrong. ====== JQ1 0.01μM R03 exp130 ====== ==== Mechanism of Action ==== Inhibits BET bromodomain proteins BRD2, BRD3, BRD4, BRDT * **<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>** %%JQ1 compound%% * **<color #00a2e8>Synonyms:</color>** JQ1 * **<color #00a2e8>CAS #:</color>** 1268524-70-4 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/46907787|46907787]] * **<color #00a2e8>IUPAC:</color>** %%tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 * **<color #00a2e8>INCHI Key:</color>** DNVXATUJJDPFDM-KRWDZBQOSA-N * **<color #00a2e8>Molecular Weight:</color>** 457 * **<color #00a2e8>Canonical SMILES:</color>** CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C * **<color #00a2e8>Isomeric SMILES:</color>** CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C * **<color #00a2e8>Molecular Formula:</color>** C23H25ClN4O2S {{:chemogenomics:structures:chem-0082.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 C23H25ClN4O2S 457.14595; found 457.14708 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** JQ1 * **<color #00a2e8>Min:</color>** 21.2855; **<color #00a2e8>Max:</color>** 88.2551 {{:chemogenomics:dose_response:dr_87.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |N/A | | IC30 |N/A | | IC40 |0.0017 | | IC50 |0.0066 | | 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>**: 10nM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 8.1 * **<color #00a2e8>Numbers of reads</color>**: 9256634 ==== 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|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/JQ1_0.01uM_Round-3_exp130.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='JQ1 0.01μM R03 exp130'> {{:chemogenomics:cranks_plots:exp130.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:H:HGC6.3|HGC6.3]]|-2.71|0.72| |[[:human_genes:D:DUSP16|DUSP16]]|-2.46|0.49| |[[:human_genes:K:KCNK1|KCNK1]]|-2.43|0.49| |[[:human_genes:D:DDX55|DDX55]]|-2.25|0.49| |[[:human_genes:F:FAM19A3|FAM19A3]]|-2.19|0.49| |[[:human_genes:K:KIAA1432|KIAA1432]]|-2.19|0.49| |[[:human_genes:U:USP17L17|USP17L17]]|-2.17|0.78| |[[:human_genes:P:PTMS|PTMS]]|-2.15|0.49| |[[:human_genes:A:APBA2|APBA2]]|-2.11|0.49| |[[:human_genes:U:UMPS|UMPS]]|-2.10|0.91| |[[:human_genes:P:PHIP|PHIP]]|-2.09|0.49| |[[:human_genes:A:ABLIM3|ABLIM3]]|-2.09|0.49| |[[:human_genes:R:RIN1|RIN1]]|-2.09|0.49| |[[:human_genes:Z:ZNF488|ZNF488]]|-2.08|0.53| |[[:human_genes:R:RARS2|RARS2]]|-2.05|0.49| |[[:human_genes:A:ASB3|ASB3]]|-2.05|0.49| |[[:human_genes:B:BBS12|BBS12]]|-2.03|0.49| |[[:human_genes:C:CCDC114|CCDC114]]|-2.03|0.49| |[[:human_genes:F:FRS3|FRS3]]|-2.01|0.49| |[[:human_genes:A:ALDH4A1|ALDH4A1]]|-2.01|0.49| |[[:human_genes:H:H2BFWT|H2BFWT]]|-2.01|0.49| |[[:human_genes:P:PDK3|PDK3]]|-2.00|0.50| |[[:human_genes:T:TMX1|TMX1]]|-1.99|0.51| |[[:human_genes:C:CTTNBP2NL|CTTNBP2NL]]|-1.97|0.49| |[[:human_genes:A:ABCC2|ABCC2]]|-1.96|0.53| |[[:human_genes:R:RABGGTB|RABGGTB]]|-1.96|0.53| |[[:human_genes:C:CHID1|CHID1]]|-1.94|0.49| |[[:human_genes:S:SEPHS1|SEPHS1]]|-1.94|0.49| |[[:human_genes:V:VTI1B|VTI1B]]|-1.93|0.49| |[[:human_genes:S:SEPSECS|SEPSECS]]|-1.93|0.69| |[[:human_genes:F:FARSA|FARSA]]|1.84|0.89| |[[:human_genes:A:ANKRD40|ANKRD40]]|1.86|0.89| |[[:human_genes:C:CCDC135|CCDC135]]|1.87|0.89| |[[:human_genes:C:CFAP45|CFAP45]]|1.88|0.89| |[[:human_genes:G:GYPA|GYPA]]|1.90|0.89| |[[:human_genes:H:HTR1B|HTR1B]]|1.90|0.89| |[[:human_genes:R:RPS6KL1|RPS6KL1]]|1.91|0.89| |[[:human_genes:N:NUP85|NUP85]]|1.91|0.89| |[[:human_genes:C:COX17|COX17]]|1.92|0.89| |[[:human_genes:P:PRPF4|PRPF4]]|1.93|0.89| |[[:human_genes:H:HSPA5|HSPA5]]|1.94|0.89| |[[:human_genes:S:SLC25A24|SLC25A24]]|1.96|0.89| |[[:human_genes:P:PABPC5|PABPC5]]|1.96|0.89| |[[:human_genes:A:AATF|AATF]]|1.96|0.89| |[[:human_genes:G:GOLGB1|GOLGB1]]|1.97|0.89| |[[:human_genes:S:SPOCK1|SPOCK1]]|1.98|0.89| |[[:human_genes:F:FOXB2|FOXB2]]|1.99|0.89| |[[:human_genes:C:C17orf78|C17orf78]]|2.00|0.89| |[[:human_genes:P:PCNA|PCNA]]|2.01|0.89| |[[:human_genes:R:RPS19|RPS19]]|2.02|0.89| |[[:human_genes:P:POLA1|POLA1]]|2.04|0.89| |[[:human_genes:D:DDX3X|DDX3X]]|2.05|0.89| |[[:human_genes:O:OR51S1|OR51S1]]|2.05|0.89| |[[:human_genes:Z:ZNF730|ZNF730]]|2.09|0.89| |[[:human_genes:A:ATF6|ATF6]]|2.09|0.89| |[[:human_genes:N:NEDD1|NEDD1]]|2.10|0.89| |[[:human_genes:T:TMSB15B|TMSB15B]]|2.11|0.89| |[[:human_genes:Z:ZSWIM8|ZSWIM8]]|2.17|0.89| |[[:human_genes:S:SLU7|SLU7]]|2.17|0.89| |[[:human_genes:A:AQR|AQR]]|2.23|0.89| </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