====== HMS-I2 10μM R06 exp288 ======
==== Mechanism of Action ====
putative HDAC inhibitor from cell-based screen
  * **<color #00a2e8>Class / Subclass 1:</color>** Uncharacterized Mechanism / Chemical Screen Hit




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%N-(1-Benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxamide%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 690626-60-9
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/2811440|2811440]]
    * **<color #00a2e8>IUPAC:</color>** %%N-(1-benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C20H19ClFN3OS/c21-16-5-3-6-17(22)15(16)13-24-8-10-25(11-9-24)20(26)23-19-12-14-4-1-2-7-18(14)27-19/h1-7,12H,8-11,13H2,(H,23,26)
    * **<color #00a2e8>INCHI Key:</color>** BPEPKMJSLJPOFO-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 403.9
    * **<color #00a2e8>Canonical SMILES:</color>** C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=CC=CC=C4S3
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C20H19ClFN3OS
{{:chemogenomics:structures:chem-0176.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** MayBridge
    * **<color #00a2e8>Catalog #:</color>** HTS 03843
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C20H19ClFN3OS 404.09942; found 404.10247
</panel>


<panel title='Dose Response Curve'>
Dose response curve not available.
</panel>


</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 06
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.5
    * **<color #00a2e8>Numbers of reads</color>**: 29211248


==== 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^
|3/61|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/HMS-I2_10uM_Round-6_exp288.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='HMS-I2 10μM R06 exp288'>
{{:chemogenomics:cranks_plots:exp288.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC29A1|SLC29A1]]|-3.81|<0.01|
|[[:human_genes:U:UCHL5|UCHL5]]|-3.19|<0.01|
|[[:human_genes:U:UCK2|UCK2]]|-2.79|0.02|
|[[:human_genes:P:PTMS|PTMS]]|-2.73|0.06|
|[[:human_genes:T:TBRG4|TBRG4]]|-2.72|0.06|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.72|0.09|
|[[:human_genes:Z:ZNHIT6|ZNHIT6]]|-2.50|0.16|
|[[:human_genes:C:COX11|COX11]]|-2.49|0.06|
|[[:human_genes:F:FASTKD5|FASTKD5]]|-2.47|0.18|
|[[:human_genes:N:NFRKB|NFRKB]]|-2.45|0.07|
|[[:human_genes:A:ANAPC15|ANAPC15]]|-2.42|0.14|
|[[:human_genes:C:C16orf72|C16orf72]]|-2.40|0.14|
|[[:human_genes:Q:QARS|QARS]]|-2.39|0.47|
|[[:human_genes:D:DHODH|DHODH]]|-2.37|0.39|
|[[:human_genes:S:SELRC1|SELRC1]]|-2.31|0.13|
|[[:human_genes:T:TBX21|TBX21]]|-2.29|0.19|
|[[:human_genes:T:TSC2|TSC2]]|-2.23|0.16|
|[[:human_genes:G:GTF3C1|GTF3C1]]|-2.21|0.33|
|[[:human_genes:D:DEPDC4|DEPDC4]]|-2.20|0.26|
|[[:human_genes:I:INO80|INO80]]|-2.19|0.33|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.18|0.27|
|[[:human_genes:O:OTUD5|OTUD5]]|-2.17|0.34|
|[[:human_genes:C:COA3|COA3]]|-2.17|0.27|
|[[:human_genes:Z:ZNF704|ZNF704]]|-2.16|0.27|
|[[:human_genes:M:MICAL2|MICAL2]]|-2.13|0.21|
|[[:human_genes:L:LRPPRC|LRPPRC]]|-2.11|0.32|
|[[:human_genes:C:C15orf62|C15orf62]]|-2.08|0.26|
|[[:human_genes:Z:ZNF431|ZNF431]]|-2.08|0.37|
|[[:human_genes:S:SCO2|SCO2]]|-2.06|0.33|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.06|0.33|
|[[:human_genes:N:NDUFAF4|NDUFAF4]]|2.89|<0.01|
|[[:human_genes:N:NDUFC2|NDUFC2]]|2.90|<0.01|
|[[:human_genes:N:NDUFAF3|NDUFAF3]]|2.91|<0.01|
|[[:human_genes:C:CXorf56|CXorf56]]|2.92|<0.01|
|[[:human_genes:A:ATP5SL|ATP5SL]]|2.95|<0.01|
|[[:human_genes:N:NDUFB8|NDUFB8]]|2.97|0.00|
|[[:human_genes:F:FASTKD2|FASTKD2]]|2.99|<0.01|
|[[:human_genes:N:NFU1|NFU1]]|3.04|0.01|
|[[:human_genes:O:OXSM|OXSM]]|3.12|0.00|
|[[:human_genes:S:SLC25A51|SLC25A51]]|3.12|0.00|
|[[:human_genes:N:NDUFB5|NDUFB5]]|3.13|0.00|
|[[:human_genes:N:NDUFB11|NDUFB11]]|3.15|0.00|
|[[:human_genes:M:MTO1|MTO1]]|3.24|0.00|
|[[:human_genes:G:GLRX5|GLRX5]]|3.30|0.00|
|[[:human_genes:A:ACAD9|ACAD9]]|3.35|0.00|
|[[:human_genes:N:NUBPL|NUBPL]]|3.36|0.00|
|[[:human_genes:G:GRSF1|GRSF1]]|3.36|0.00|
|[[:human_genes:N:NDUFAF6|NDUFAF6]]|3.39|0.00|
|[[:human_genes:N:NDUFA11|NDUFA11]]|3.46|0.00|
|[[:human_genes:I:IBA57|IBA57]]|3.50|0.00|
|[[:human_genes:S:SEPSECS|SEPSECS]]|3.50|0.00|
|[[:human_genes:N:NDUFAF7|NDUFAF7]]|3.56|0.00|
|[[:human_genes:N:NDUFAF5|NDUFAF5]]|3.62|0.00|
|[[:human_genes:N:NDUFB7|NDUFB7]]|3.67|0.00|
|[[:human_genes:S:SFXN4|SFXN4]]|3.69|0.00|
|[[:human_genes:N:NDUFB9|NDUFB9]]|3.75|0.00|
|[[:human_genes:N:NDUFA2|NDUFA2]]|3.76|0.00|
|[[:human_genes:C:COQ7|COQ7]]|3.93|0.00|
|[[:human_genes:N:NDUFA1|NDUFA1]]|4.17|0.00|
|[[:human_genes:F:FOXRED1|FOXRED1]]|4.61|0.00|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp25|Oligomycin-A 2μM R00 exp25]]|0.124|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.075|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp160|Ribavirin 10 to 15μM on day4 R04 exp160]]|0.066|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.061|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp534|Trientine 500μM R08 exp534]]|0.06|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.059|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp360|Genistein 15μM R07 exp360]]|0.099|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.098|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.098|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp342|Calcium Ionophore 0.4μM R07 exp342]]|0.056|<button type="primary" size="small" modal="10">View</button>|
</modal>


<modal id="1" size="lg" title="HMS-I2 10μM R06 exp288  vs  Oligomycin-A 2μM R00 exp25">
{{:chemogenomics:comparison_plots:exp25_vs_exp288.png?nolink |}}
</modal>

<modal id="2" size="lg" title="HMS-I2 10μM R06 exp288  vs  Hydroxyurea 100μM R07 exp329">
{{:chemogenomics:comparison_plots:exp288_vs_exp329.png?nolink |}}
</modal>

<modal id="3" size="lg" title="HMS-I2 10μM R06 exp288  vs  Ribavirin 10 to 15μM on day4 R04 exp160">
{{:chemogenomics:comparison_plots:exp160_vs_exp288.png?nolink |}}
</modal>

<modal id="4" size="lg" title="HMS-I2 10μM R06 exp288  vs  UM0125461 0.74μM R02 exp84">
{{:chemogenomics:comparison_plots:exp288_vs_exp84.png?nolink |}}
</modal>

<modal id="5" size="lg" title="HMS-I2 10μM R06 exp288  vs  Trientine 500μM R08 exp534">
{{:chemogenomics:comparison_plots:exp288_vs_exp534.png?nolink |}}
</modal>

<modal id="6" size="lg" title="HMS-I2 10μM R06 exp288  vs  Thimerosal 0.85μM R08 exp529">
{{:chemogenomics:comparison_plots:exp288_vs_exp529.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Genistein 15μM R07 exp360  vs  HMS-I2 10μM R06 exp288">
{{:chemogenomics:comparison_plots:exp288_vs_exp360.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Artemisinin 50μM R08 exp450  vs  HMS-I2 10μM R06 exp288">
{{:chemogenomics:comparison_plots:exp288_vs_exp450.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Atovaquone 15μM R08 exp451  vs  HMS-I2 10μM R06 exp288">
{{:chemogenomics:comparison_plots:exp288_vs_exp451.png?nolink |}}
</modal>

<modal id="10" size="lg" title="Calcium Ionophore 0.4μM R07 exp342  vs  HMS-I2 10μM R06 exp288">
{{:chemogenomics:comparison_plots:exp288_vs_exp342.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|Ino80 complex|142.05|UCHL5,NFRKB,INO80|
|positive regulation of telomere maintenance in response to DNA damage|142.05|UCHL5,NFRKB,INO80|
|regulation of DNA strand elongation|124.29|UCHL5,NFRKB,INO80|
|regulation of telomere maintenance in response to DNA damage|110.48|UCHL5,NFRKB,INO80|
|INO80-type complex|79.55|UCHL5,NFRKB,INO80|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|NADH dehydrogenase complex assembly|191.22|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFAF5,NDUFAF7,NDUFA11,NDUFAF6,NUBPL,ACAD9,NDUFB11,NDUFB5,NDUFB8,DMAC2,NDUFAF3,NDUFC2,NDUFAF4|
|mitochondrial respiratory chain complex I assembly|191.22|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFAF5,NDUFAF7,NDUFA11,NDUFAF6,NUBPL,ACAD9,NDUFB11,NDUFB5,NDUFB8,DMAC2,NDUFAF3,NDUFC2,NDUFAF4|
|NADH dehydrogenase complex|134.73|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|respiratory chain complex I|134.73|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|mitochondrial respiratory chain complex I|131.52|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|mitochondrial respiratory chain complex assembly|114.29|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFAF5,NDUFAF7,NDUFA11,NDUFAF6,NUBPL,ACAD9,NDUFB11,NDUFB5,NDUFB8,DMAC2,NDUFAF3,NDUFC2,NDUFAF4|
|proton motive force-driven ATP synthesis|82.86|NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|respiratory chain complex|74.65|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|mitochondrial respirasome|73.65|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|ATP biosynthetic process|71.02|NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|respirasome|67.37|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|purine ribonucleoside triphosphate biosynthetic process|61.38|NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|purine nucleoside triphosphate biosynthetic process|60.63|NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,NDUFB8,NDUFC2|
|oxidative phosphorylation|55.80|NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFA11,NDUFB11,NDUFB5,SLC25A51,NDUFB8,NDUFC2|
|mitochondrion organization|23.67|FOXRED1,NDUFA1,NDUFA2,NDUFB9,NDUFB7,NDUFAF5,NDUFAF7,NDUFA11,NDUFAF6,NUBPL,ACAD9,NDUFB11,NDUFB5,NDUFB8,DMAC2,NDUFAF3,NDUFC2,NDUFAF4|
|mitochondrial inner membrane|21.71|FOXRED1,NDUFA1,COQ7,NDUFA2,NDUFB9,SFXN4,NDUFB7,NDUFAF5,NDUFA11,NDUFAF6,ACAD9,NDUFB11,NDUFB5,SLC25A51,NDUFB8,NDUFAF3,NDUFC2,NDUFAF4|
|organelle inner membrane|19.50|FOXRED1,NDUFA1,COQ7,NDUFA2,NDUFB9,SFXN4,NDUFB7,NDUFAF5,NDUFA11,NDUFAF6,ACAD9,NDUFB11,NDUFB5,SLC25A51,NDUFB8,NDUFAF3,NDUFC2,NDUFAF4|
|mitochondrial membrane|14.10|FOXRED1,NDUFA1,COQ7,NDUFA2,NDUFB9,SFXN4,NDUFB7,NDUFAF5,NDUFA11,NDUFAF6,ACAD9,NDUFB11,NDUFB5,SLC25A51,NDUFB8,NDUFAF3,NDUFC2,NDUFAF4|
|mitochondrial envelope|13.24|FOXRED1,NDUFA1,COQ7,NDUFA2,NDUFB9,SFXN4,NDUFB7,NDUFAF5,NDUFA11,NDUFAF6,ACAD9,NDUFB11,NDUFB5,SLC25A51,NDUFB8,NDUFAF3,NDUFC2,NDUFAF4|
</modal>