====== JQ1 0.01μM R03 exp130 ====== ==== 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:** 21.2855; **Max:** 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 | \\ ==== Screen Summary ==== * **Round**: 03 * **Dose**: 10nM * **Days of incubation**: 8 * **Doublings**: 8.1 * **Numbers of reads**: 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|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/JQ1_0.01uM_Round-3_exp130.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp130.png?nolink}} ^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| No correlation data above threshold. (correlation > 0.05) No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)