====== JQ1 0.8μM R08 exp435 ====== ==== Mechanism of Action ==== Inhibits BET bromodomain proteins BRD2, BRD3, BRD4, BRDT * **Class / Subclass 1:** Gene Regulation / Epigenetic Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%JQ1 compound%% * **Synonyms:** JQ1 * **CAS #:** 1268524-70-4 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/46907787|46907787]] * **IUPAC:** %%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%% * **INCHI Name:** 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 * **INCHI Key:** DNVXATUJJDPFDM-KRWDZBQOSA-N * **Molecular Weight:** 457 * **Canonical SMILES:** CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C * **Isomeric SMILES:** 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 * **Molecular Formula:** C23H25ClN4O2S {{:chemogenomics:structures:chem-0082.svg?nolink}} * **Supplier Name:** Structural Genomics Consortium * **Catalog #:** N/A * **Lot #:** N/A * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C23H25ClN4O2S 457.14595; found 457.14708 * **Platform ID:** JQ1 * **Min:** -10.4111; **Max:** 94.2087 {{:chemogenomics:dose_response:dr_551.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |0.1176 | | IC20 |0.2393 | | IC30 |0.3838 | | IC40 |0.5651 | | IC50 |0.8061 | | IC60 |1.1500 | | IC70 |1.6930 | | IC80 |2.7150 | | IC90 |5.5240 | \\ ==== Screen Summary ==== * **Round**: 08 * **Dose**: 800nM * **Days of incubation**: 8 * **Doublings**: 0.3 * **Numbers of reads**: 17120718 ==== 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^ |21/47|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/JQ1_0.8uM_Round-8_exp435.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp435.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:B:BCL2|BCL2]]|-4.09|<0.01| |[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-3.94|<0.01| |[[:human_genes:U:UXS1|UXS1]]|-3.42|<0.01| |[[:human_genes:Y:YPEL5|YPEL5]]|-3.26|<0.01| |[[:human_genes:N:NELFB|NELFB]]|-3.24|<0.01| |[[:human_genes:R:RAD21|RAD21]]|-3.17|<0.01| |[[:human_genes:G:GPR107|GPR107]]|-3.01|<0.01| |[[:human_genes:P:PDS5B|PDS5B]]|-2.91|<0.01| |[[:human_genes:A:ARL1|ARL1]]|-2.77|<0.01| |[[:human_genes:O:OTUB1|OTUB1]]|-2.76|0.02| |[[:human_genes:T:TRIM52|TRIM52]]|-2.75|0.02| |[[:human_genes:S:SLC39A9|SLC39A9]]|-2.75|<0.01| |[[:human_genes:S:SF3A1|SF3A1]]|-2.72|0.06| |[[:human_genes:D:DIS3L|DIS3L]]|-2.72|0.02| |[[:human_genes:M:MESDC1|MESDC1]]|-2.71|0.02| |[[:human_genes:X:XAB2|XAB2]]|-2.70|0.36| |[[:human_genes:D:DNA2|DNA2]]|-2.69|0.07| |[[:human_genes:K:KPNB1|KPNB1]]|-2.69|0.11| |[[:human_genes:G:GPX4|GPX4]]|-2.69|0.01| |[[:human_genes:I:ISCU|ISCU]]|-2.67|0.12| |[[:human_genes:A:ADNP|ADNP]]|-2.54|0.02| |[[:human_genes:C:CHTOP|CHTOP]]|-2.53|0.04| |[[:human_genes:M:MAU2|MAU2]]|-2.52|0.17| |[[:human_genes:P:PSME3|PSME3]]|-2.48|0.05| |[[:human_genes:R:RAF1|RAF1]]|-2.47|0.03| |[[:human_genes:M:MEMO1|MEMO1]]|-2.46|0.03| |[[:human_genes:P:PRMT7|PRMT7]]|-2.45|0.03| |[[:human_genes:C:CDC73|CDC73]]|-2.43|0.07| |[[:human_genes:E:EPC1|EPC1]]|-2.43|0.05| |[[:human_genes:S:SART1|SART1]]|-2.41|0.22| |[[:human_genes:M:MTIF3|MTIF3]]|2.51|0.03| |[[:human_genes:C:CBX3|CBX3]]|2.53|0.01| |[[:human_genes:F:FAM26D|FAM26D]]|2.54|0.01| |[[:human_genes:S:SLC4A7|SLC4A7]]|2.55|0.02| |[[:human_genes:A:AASDHPPT|AASDHPPT]]|2.61|0.01| |[[:human_genes:K:KMT2D|KMT2D]]|2.61|0.01| |[[:human_genes:M:MED23|MED23]]|2.62|0.01| |[[:human_genes:R:RUNX1|RUNX1]]|2.63|0.01| |[[:human_genes:P:PRRC2C|PRRC2C]]|2.64|0.01| |[[:human_genes:R:RBMX2|RBMX2]]|2.65|0.01| |[[:human_genes:C:CYCS|CYCS]]|2.65|<0.01| |[[:human_genes:H:HCCS|HCCS]]|2.67|0.03| |[[:human_genes:A:ARPP21|ARPP21]]|2.67|<0.01| |[[:human_genes:D:DDX55|DDX55]]|2.67|0.01| |[[:human_genes:V:VDAC2|VDAC2]]|2.77|<0.01| |[[:human_genes:W:WDR82|WDR82]]|2.80|0.03| |[[:human_genes:S:SEC62|SEC62]]|2.80|0.01| |[[:human_genes:P:PIK3CD|PIK3CD]]|2.88|<0.01| |[[:human_genes:Z:ZBTB18|ZBTB18]]|2.92|<0.01| |[[:human_genes:T:TRIM33|TRIM33]]|3.01|<0.01| |[[:human_genes:C:CBFB|CBFB]]|3.30|<0.01| |[[:human_genes:A:ATIC|ATIC]]|3.30|<0.01| |[[:human_genes:M:MARCH5|MARCH5]]|3.33|<0.01| |[[:human_genes:W:WDR77|WDR77]]|3.48|<0.01| |[[:human_genes:B:BCL2L11|BCL2L11]]|3.49|<0.01| |[[:human_genes:M:MAPKAP1|MAPKAP1]]|3.58|<0.01| |[[:human_genes:B:BMF|BMF]]|3.64|<0.01| |[[:human_genes:A:APAF1|APAF1]]|3.65|<0.01| |[[:human_genes:F:FBXO11|FBXO11]]|4.12|<0.01| |[[:human_genes:B:BAK1|BAK1]]|5.95|<0.01| ^Screen^Correlation^Plot^ |[[:results:exp443|SNS-032 15μM R08 exp443]]|0.108|| |[[:results:exp515|PU-H71 1μM R08 exp515]]|0.097|| |[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.096|| |[[:results:exp502|Milciclib 2μM R08 exp502]]|0.091|| |[[:results:exp382|Palbociclib 1μM R07 exp382]]|0.087|| |[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.086|| |[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.084|| |[[:results:exp135|MS023 7μM R03 exp135]]|0.082|| |[[:results:exp532|TIC10 10μM R08 exp532]]|0.076|| |[[:results:exp134|MS023 2μM R03 exp134]]|0.072|| |[[:results:exp34|Rotenone 20μM R00 exp34]]|0.072|| |[[:results:exp512|Olaparib 4μM R08 exp512]]|0.07|| |[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.07|| |[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.068|| |[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.062|| |[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.062|| |[[:results:exp535|Trimetrexate 0.03μM R08 exp535]]|0.062|| |[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.061|| |[[:results:exp499|LY2090314 0.003μM R08 exp499]]|0.059|| |[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.058|| |[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.057|| |[[:results:exp492|iCRT14 30μM R08 exp492]]|0.055|| |[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.052|| |[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.122|| |[[:results:exp116|AICAR 240μM R03 exp116]]|0.09|| |[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.086|| |[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.08|| |[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.08|| |[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.079|| |[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.075|| |[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.075|| |[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.072|| |[[:results:exp67|BVD-523 15μM R02 exp67]]|0.071|| |[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.071|| |[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.068|| |[[:results:exp211|AICAR 240μM R05 exp211]]|0.066|| |[[:results:exp19|Etoposide 1μM R00 exp19]]|0.064|| |[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.064|| |[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.064|| |[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.061|| |[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.06|| |[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.06|| |[[:results:exp485|GSK626616 14μM R08 exp485]]|0.055|| |[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.055|| |[[:results:exp441|GSK-J4 1.5μM R08 exp441]]|0.055|| |[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.054|| |[[:results:exp539|42°C R08 exp539]]|0.053|| |[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.053|| |[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.053|| |[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.052|| |[[:results:exp350|Deferoxamine 11μM R07 exp350]]|0.052|| |[[:results:exp355|Dinaciclib 0.007μM R07 exp355]]|0.052|| {{:chemogenomics:comparison_plots:exp435_vs_exp443.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp515.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp503.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp502.png?nolink |}} {{:chemogenomics:comparison_plots:exp382_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp531.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp524.png?nolink |}} {{:chemogenomics:comparison_plots:exp135_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp532.png?nolink |}} {{:chemogenomics:comparison_plots:exp134_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp34_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp512.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp529.png?nolink |}} {{:chemogenomics:comparison_plots:exp28_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp507.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp500.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp535.png?nolink |}} {{:chemogenomics:comparison_plots:exp106_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp499.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp497.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp527.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp492.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp80.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp440.png?nolink |}} {{:chemogenomics:comparison_plots:exp116_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp451.png?nolink |}} {{:chemogenomics:comparison_plots:exp2_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp488.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp474.png?nolink |}} {{:chemogenomics:comparison_plots:exp357_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp456.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp478.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp67.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp459.png?nolink |}} {{:chemogenomics:comparison_plots:exp3_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp211_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp19_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp489.png?nolink |}} {{:chemogenomics:comparison_plots:exp234_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp450.png?nolink |}} {{:chemogenomics:comparison_plots:exp227_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp472.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp485.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp460.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp441.png?nolink |}} {{:chemogenomics:comparison_plots:exp259_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp539.png?nolink |}} {{:chemogenomics:comparison_plots:exp435_vs_exp468.png?nolink |}} {{:chemogenomics:comparison_plots:exp329_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp199_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp350_vs_exp435.png?nolink |}} {{:chemogenomics:comparison_plots:exp355_vs_exp435.png?nolink |}} No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)