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Ask your administrator if you think this is wrong. ====== Milciclib 2μM R08 exp502 ====== ==== Mechanism of Action ==== Inhibits CDK2, also TRKA, CDK1, CDK4 * **<color #00a2e8>Class / Subclass 1:</color>** Cell Cycle / Cyclin Dependent Kinase Inhibitor * **<color #00a2e8>Class / Subclass 2:</color>** Signal Transduction / Kinase Inhibitor ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%Milciclib%% * **<color #00a2e8>Synonyms:</color>** PHA-848125 * **<color #00a2e8>CAS #:</color>** 802539-81-7 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/16718576|16718576]] * **<color #00a2e8>IUPAC:</color>** %%N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29) * **<color #00a2e8>INCHI Key:</color>** RXZMYLDMFYNEIM-UHFFFAOYSA-N * **<color #00a2e8>Molecular Weight:</color>** 460.6 * **<color #00a2e8>Canonical SMILES:</color>** CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C * **<color #00a2e8>Isomeric SMILES:</color>** N/A * **<color #00a2e8>Molecular Formula:</color>** C25H32N8O {{:chemogenomics:structures:chem-0307.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Med Chem Express * **<color #00a2e8>Catalog #:</color>** HY-10424 * **<color #00a2e8>Lot #:</color>** 05417 </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C25H32N8O 461.27718; found 461.2785 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** Milciclib * **<color #00a2e8>Min:</color>** -12.0561; **<color #00a2e8>Max:</color>** 94.9848 {{:chemogenomics:dose_response:dr_555.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |0.3312 | | IC20 |0.6400 | | IC30 |0.9915 | | IC40 |1.4200 | | IC50 |1.9730 | | IC60 |2.7430 | | IC70 |3.9270 | | IC80 |6.0840 | | IC90 |11.7500 | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 08 * **<color #00a2e8>Dose</color>**: 2µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 0.3 * **<color #00a2e8>Numbers of reads</color>**: 16227722 ==== 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^ |23/45|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Milciclib_2uM_Round-8_exp502.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>| <modal id='ScorePlot' size='lg' title='Milciclib 2μM R08 exp502'> {{:chemogenomics:cranks_plots:exp502.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:U:UBE2H|UBE2H]]|-5.61|<0.01| |[[:human_genes:C:CLK3|CLK3]]|-5.21|<0.01| |[[:human_genes:W:WDR26|WDR26]]|-4.58|<0.01| |[[:human_genes:Y:YPEL5|YPEL5]]|-4.39|<0.01| |[[:human_genes:T:TCF4|TCF4]]|-4.18|<0.01| |[[:human_genes:U:UXS1|UXS1]]|-3.92|<0.01| |[[:human_genes:P:PRKAR1A|PRKAR1A]]|-3.24|<0.01| |[[:human_genes:S:SCAF1|SCAF1]]|-3.20|0.09| |[[:human_genes:B:BRD1|BRD1]]|-3.20|<0.01| |[[:human_genes:M:MAEA|MAEA]]|-3.02|<0.01| |[[:human_genes:C:CSK|CSK]]|-3.01|<0.01| |[[:human_genes:S:SOX4|SOX4]]|-3.00|0.01| |[[:human_genes:R:RPSA|RPSA]]|-2.93|0.16| |[[:human_genes:T:TCF12|TCF12]]|-2.92|<0.01| |[[:human_genes:S:STAG2|STAG2]]|-2.68|0.01| |[[:human_genes:K:KAT7|KAT7]]|-2.67|0.01| |[[:human_genes:A:ATP6V0C|ATP6V0C]]|-2.61|0.37| |[[:human_genes:Z:ZNF292|ZNF292]]|-2.58|0.01| |[[:human_genes:G:GPX4|GPX4]]|-2.58|0.01| |[[:human_genes:D:DERL2|DERL2]]|-2.53|0.04| |[[:human_genes:A:ADRM1|ADRM1]]|-2.52|0.04| |[[:human_genes:O:OTUB1|OTUB1]]|-2.50|0.04| |[[:human_genes:R:RANBP1|RANBP1]]|-2.48|0.02| |[[:human_genes:B:BCL2L1|BCL2L1]]|-2.46|0.03| |[[:human_genes:D:DCAF16|DCAF16]]|-2.45|0.03| |[[:human_genes:A:ATP6V0B|ATP6V0B]]|-2.41|0.33| |[[:human_genes:G:GID8|GID8]]|-2.37|0.04| |[[:human_genes:A:ADSS|ADSS]]|-2.36|0.18| |[[:human_genes:V:VPS25|VPS25]]|-2.32|0.37| |[[:human_genes:R:RARS|RARS]]|-2.30|0.27| |[[:human_genes:P:PTPMT1|PTPMT1]]|2.66|0.05| |[[:human_genes:K:KCTD5|KCTD5]]|2.69|<0.01| |[[:human_genes:P:PRKACA|PRKACA]]|2.69|<0.01| |[[:human_genes:A:AMBRA1|AMBRA1]]|2.81|<0.01| |[[:human_genes:M:MOCS3|MOCS3]]|2.83|0.01| |[[:human_genes:P:PPP2R4|PPP2R4]]|2.95|<0.01| |[[:human_genes:S:SPOP|SPOP]]|3.00|0.00| |[[:human_genes:P:PPP3R1|PPP3R1]]|3.05|0.00| |[[:human_genes:R:RIMKLB|RIMKLB]]|3.08|0.00| |[[:human_genes:X:XPR1|XPR1]]|3.11|0.00| |[[:human_genes:C:CXorf56|CXorf56]]|3.14|0.00| |[[:human_genes:U:USO1|USO1]]|3.19|0.00| |[[:human_genes:D:DGKQ|DGKQ]]|3.22|0.00| |[[:human_genes:H:HDAC3|HDAC3]]|3.23|0.00| |[[:human_genes:P:PPP2CA|PPP2CA]]|3.30|0.00| |[[:human_genes:N:N6AMT1|N6AMT1]]|3.30|<0.01| |[[:human_genes:T:TIPRL|TIPRL]]|3.37|0.00| |[[:human_genes:B:BAK1|BAK1]]|3.39|0.00| |[[:human_genes:R:RFX7|RFX7]]|3.40|0.00| |[[:human_genes:S:SMEK1|SMEK1]]|3.41|0.00| |[[:human_genes:P:PPME1|PPME1]]|3.41|0.00| |[[:human_genes:D:DGKD|DGKD]]|3.42|0.00| |[[:human_genes:G:GNAS|GNAS]]|3.43|0.00| |[[:human_genes:M:MBTPS2|MBTPS2]]|3.49|0.00| |[[:human_genes:C:CYB5R4|CYB5R4]]|3.49|0.00| |[[:human_genes:A:ATIC|ATIC]]|3.56|0.00| |[[:human_genes:H:HDAC7|HDAC7]]|3.91|0.00| |[[:human_genes:N:NCOR1|NCOR1]]|5.05|0.00| |[[:human_genes:L:LCMT1|LCMT1]]|5.75|0.00| |[[:human_genes:R:RB1|RB1]]|7.23|0.00| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.101|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.071|<button type="primary" size="small" modal="2">View</button>| |[[:results:exp85|UM0129480 7μM R02 exp85]]|0.066|<button type="primary" size="small" modal="3">View</button>| |[[:results:exp382|Palbociclib 1μM R07 exp382]]|0.065|<button type="primary" size="small" modal="4">View</button>| |[[:results:exp515|PU-H71 1μM R08 exp515]]|0.061|<button type="primary" size="small" modal="5">View</button>| |[[:results:exp532|TIC10 10μM R08 exp532]]|0.06|<button type="primary" size="small" modal="6">View</button>| |[[:results:exp59|UMK57 1μM R01 exp59]]|0.058|<button type="primary" size="small" modal="7">View</button>| |[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.056|<button type="primary" size="small" modal="8">View</button>| |[[:results:exp443|SNS-032 15μM R08 exp443]]|0.055|<button type="primary" size="small" modal="9">View</button>| |[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.055|<button type="primary" size="small" modal="10">View</button>| |[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.055|<button type="primary" size="small" modal="11">View</button>| |[[:results:exp492|iCRT14 30μM R08 exp492]]|0.053|<button type="primary" size="small" modal="12">View</button>| |[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.091|<button type="primary" size="small" modal="13">View</button>| |[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.088|<button type="primary" size="small" modal="14">View</button>| |[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.083|<button type="primary" size="small" modal="15">View</button>| |[[:results:exp67|BVD-523 15μM R02 exp67]]|0.079|<button type="primary" size="small" modal="16">View</button>| |[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.073|<button type="primary" size="small" modal="17">View</button>| |[[:results:exp485|GSK626616 14μM R08 exp485]]|0.068|<button type="primary" size="small" modal="18">View</button>| |[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.067|<button type="primary" size="small" modal="19">View</button>| |[[:results:exp134|MS023 2μM R03 exp134]]|0.067|<button type="primary" size="small" modal="20">View</button>| |[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.065|<button type="primary" size="small" modal="21">View</button>| |[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.065|<button type="primary" size="small" modal="22">View</button>| |[[:results:exp499|LY2090314 0.003μM R08 exp499]]|0.065|<button type="primary" size="small" modal="23">View</button>| |[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.064|<button type="primary" size="small" modal="24">View</button>| |[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.064|<button type="primary" size="small" modal="25">View</button>| |[[:results:exp216|Erlotinib 10μM R05 exp216]]|0.063|<button type="primary" size="small" modal="26">View</button>| |[[:results:exp214|2-Deoxy-D-glucose 800μM R05 exp214]]|0.06|<button type="primary" size="small" modal="27">View</button>| |[[:results:exp359|FK-506 30μM R07 exp359]]|0.06|<button type="primary" size="small" modal="28">View</button>| |[[:results:exp498|Lead acetate 2000μM R08 exp498 no dilution day6]]|0.06|<button type="primary" size="small" modal="29">View</button>| |[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.059|<button type="primary" size="small" modal="30">View</button>| |[[:results:exp312|2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312]]|0.057|<button type="primary" size="small" modal="31">View</button>| |[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.057|<button type="primary" size="small" modal="32">View</button>| |[[:results:exp264|Arsenate 40μM R06 exp264]]|0.054|<button type="primary" size="small" modal="33">View</button>| |[[:results:exp135|MS023 7μM R03 exp135]]|0.054|<button type="primary" size="small" modal="34">View</button>| |[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.052|<button type="primary" size="small" modal="35">View</button>| |[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.051|<button type="primary" size="small" modal="36">View</button>| |[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.051|<button type="primary" size="small" modal="37">View</button>| |[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.051|<button type="primary" size="small" modal="38">View</button>| </modal> <modal id="1" size="lg" title="Milciclib 2μM R08 exp502 vs Staurosporine 0.02μM R08 exp524"> {{:chemogenomics:comparison_plots:exp502_vs_exp524.png?nolink |}} </modal> <modal id="2" size="lg" title="Milciclib 2μM R08 exp502 vs RO-3307 4.7μM R02 exp80"> {{:chemogenomics:comparison_plots:exp502_vs_exp80.png?nolink |}} </modal> <modal id="3" size="lg" title="Milciclib 2μM R08 exp502 vs UM0129480 7μM R02 exp85"> {{:chemogenomics:comparison_plots:exp502_vs_exp85.png?nolink |}} </modal> <modal id="4" size="lg" title="Milciclib 2μM R08 exp502 vs Palbociclib 1μM R07 exp382"> {{:chemogenomics:comparison_plots:exp382_vs_exp502.png?nolink |}} </modal> <modal id="5" size="lg" title="Milciclib 2μM R08 exp502 vs PU-H71 1μM R08 exp515"> {{:chemogenomics:comparison_plots:exp502_vs_exp515.png?nolink |}} </modal> <modal id="6" size="lg" title="Milciclib 2μM R08 exp502 vs TIC10 10μM R08 exp532"> {{:chemogenomics:comparison_plots:exp502_vs_exp532.png?nolink |}} </modal> <modal id="7" size="lg" title="Milciclib 2μM R08 exp502 vs UMK57 1μM R01 exp59"> {{:chemogenomics:comparison_plots:exp502_vs_exp59.png?nolink |}} </modal> <modal id="8" size="lg" title="Milciclib 2μM R08 exp502 vs Thimerosal 0.85μM R08 exp529"> {{:chemogenomics:comparison_plots:exp502_vs_exp529.png?nolink |}} </modal> <modal id="9" size="lg" title="Milciclib 2μM R08 exp502 vs SNS-032 15μM R08 exp443"> {{:chemogenomics:comparison_plots:exp443_vs_exp502.png?nolink |}} </modal> <modal id="10" size="lg" title="Milciclib 2μM R08 exp502 vs Tanespimycin 14μM R08 exp527"> {{:chemogenomics:comparison_plots:exp502_vs_exp527.png?nolink |}} </modal> <modal id="11" size="lg" title="Milciclib 2μM R08 exp502 vs Mitomycin-C 0.06μM R08 exp503"> {{:chemogenomics:comparison_plots:exp502_vs_exp503.png?nolink |}} </modal> <modal id="12" size="lg" title="Milciclib 2μM R08 exp502 vs iCRT14 30μM R08 exp492"> {{:chemogenomics:comparison_plots:exp492_vs_exp502.png?nolink |}} </modal> <modal id="13" size="lg" title="JQ1 0.8μM R08 exp435 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp435_vs_exp502.png?nolink |}} </modal> <modal id="14" size="lg" title="Dorsomorphin 5μM R07 exp357 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp357_vs_exp502.png?nolink |}} </modal> <modal id="15" size="lg" title="CB-5083 0.4μM R08 exp468 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp468_vs_exp502.png?nolink |}} </modal> <modal id="16" size="lg" title="BVD-523 15μM R02 exp67 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp502_vs_exp67.png?nolink |}} </modal> <modal id="17" size="lg" title="Hippuristanol 0.12μM R08 exp489 no dilution day6 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp489_vs_exp502.png?nolink |}} </modal> <modal id="18" size="lg" title="GSK626616 14μM R08 exp485 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp485_vs_exp502.png?nolink |}} </modal> <modal id="19" size="lg" title="BML-284 0.09μM R08 exp460 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp460_vs_exp502.png?nolink |}} </modal> <modal id="20" size="lg" title="MS023 2μM R03 exp134 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp134_vs_exp502.png?nolink |}} </modal> <modal id="21" size="lg" title="Hippuristanol 0.12μM R08 exp488 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp488_vs_exp502.png?nolink |}} </modal> <modal id="22" size="lg" title="Lead acetate 2000μM R08 exp497 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp497_vs_exp502.png?nolink |}} </modal> <modal id="23" size="lg" title="LY2090314 0.003μM R08 exp499 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp499_vs_exp502.png?nolink |}} </modal> <modal id="24" size="lg" title="Aphidicolin 0.4μM R08 exp440 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp440_vs_exp502.png?nolink |}} </modal> <modal id="25" size="lg" title="LY2090314 0.003μM R08 exp500 no dilution day6 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp500_vs_exp502.png?nolink |}} </modal> <modal id="26" size="lg" title="Erlotinib 10μM R05 exp216 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp216_vs_exp502.png?nolink |}} </modal> <modal id="27" size="lg" title="2-Deoxy-D-glucose 800μM R05 exp214 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp214_vs_exp502.png?nolink |}} </modal> <modal id="28" size="lg" title="FK-506 30μM R07 exp359 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp359_vs_exp502.png?nolink |}} </modal> <modal id="29" size="lg" title="Lead acetate 2000μM R08 exp498 no dilution day6 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp498_vs_exp502.png?nolink |}} </modal> <modal id="30" size="lg" title="∆-9-Tetrahydrocannabinol 30μM R08 exp445 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp445_vs_exp502.png?nolink |}} </modal> <modal id="31" size="lg" title="2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp312_vs_exp502.png?nolink |}} </modal> <modal id="32" size="lg" title="Bleomycin 5μM R08 exp459 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp459_vs_exp502.png?nolink |}} </modal> <modal id="33" size="lg" title="Arsenate 40μM R06 exp264 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp264_vs_exp502.png?nolink |}} </modal> <modal id="34" size="lg" title="MS023 7μM R03 exp135 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp135_vs_exp502.png?nolink |}} </modal> <modal id="35" size="lg" title="6-Thio-2-deoxyguanosine 2μM R06 exp259 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp259_vs_exp502.png?nolink |}} </modal> <modal id="36" size="lg" title="Actinomycin-D 0.001μM R00 exp3 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp3_vs_exp502.png?nolink |}} </modal> <modal id="37" size="lg" title="Mdivi-1 15μM R05 exp217 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp217_vs_exp502.png?nolink |}} </modal> <modal id="38" size="lg" title="Doxorubicin 0.02μM R08 exp478 vs Milciclib 2μM R08 exp502"> {{:chemogenomics:comparison_plots:exp478_vs_exp502.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms"> ^GO Term^Fold Change^Genes^ |intracellular protein-containing complex|6.54|WDR26,YPEL5,PRKAR1A,BRD1,MAEA,KAT7,DERL2,ADRM1,DCAF16,GID8| </modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms"> ^GO Term^Fold Change^Genes^ |protein serine/threonine phosphatase complex|45.09|PPP4R3A,PPP2CA,PPP3R1,PTPA| </modal> Last modified: 2026/01/15 21:36by 127.0.0.1