====== HMS-I2 1μM R06 exp286 ======
==== 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='Compound 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='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** MayBridge
    * **<color #00a2e8>Catalog #:</color>** HTS 03843
    * **<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 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>**: 1µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.9
    * **<color #00a2e8>Numbers of reads</color>**: 9120649


==== 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^
|2/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/HMS-I2_1uM_Round-6_exp286.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="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='HMS-I2 1μM R06 exp286'>
{{:chemogenomics:cranks_plots:exp286.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PGGT1B|PGGT1B]]|-3.10|<0.01|
|[[:human_genes:A:ATP6V0A1|ATP6V0A1]]|-3.02|0.02|
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|-2.81|0.64|
|[[:human_genes:P:PRAMEF26|PRAMEF26]]|-2.75|0.64|
|[[:human_genes:A:ADSL|ADSL]]|-2.58|0.43|
|[[:human_genes:C:CFAP45|CFAP45]]|-2.56|0.62|
|[[:human_genes:D:DCAF5|DCAF5]]|-2.47|0.14|
|[[:human_genes:V:VMA21|VMA21]]|-2.44|0.23|
|[[:human_genes:R:RPE|RPE]]|-2.42|0.23|
|[[:human_genes:Z:ZNF736|ZNF736]]|-2.34|0.23|
|[[:human_genes:T:TMEM208|TMEM208]]|-2.23|0.26|
|[[:human_genes:M:MRPL33|MRPL33]]|-2.20|0.69|
|[[:human_genes:N:NANOS1|NANOS1]]|-2.10|0.49|
|[[:human_genes:E:EXOC8|EXOC8]]|-2.06|0.49|
|[[:human_genes:A:ALG9|ALG9]]|-2.05|0.49|
|[[:human_genes:E:ELAC2|ELAC2]]|-2.05|0.49|
|[[:human_genes:A:ARL14EP|ARL14EP]]|-2.01|0.49|
|[[:human_genes:U:UHRF1|UHRF1]]|-2.00|0.62|
|[[:human_genes:C:CEPT1|CEPT1]]|-1.95|0.55|
|[[:human_genes:P:PRRT2|PRRT2]]|-1.95|0.49|
|[[:human_genes:G:GPR173|GPR173]]|-1.95|0.49|
|[[:human_genes:T:TRMT10A|TRMT10A]]|-1.94|0.49|
|[[:human_genes:C:CDK18|CDK18]]|-1.94|0.49|
|[[:human_genes:C:CIC|CIC]]|-1.94|0.49|
|[[:human_genes:P:PCM1|PCM1]]|-1.93|0.64|
|[[:human_genes:V:VEZT|VEZT]]|-1.93|0.49|
|[[:human_genes:R:RAB28|RAB28]]|-1.92|0.49|
|[[:human_genes:C:CTC1|CTC1]]|-1.92|0.64|
|[[:human_genes:P:PGK1|PGK1]]|-1.91|0.61|
|[[:human_genes:P:PEX3|PEX3]]|-1.91|0.49|
|[[:human_genes:E:ERP44|ERP44]]|1.83|0.76|
|[[:human_genes:M:MTRNR2L9|MTRNR2L9]]|1.85|0.85|
|[[:human_genes:H:HIST1H2BF|HIST1H2BF]]|1.90|0.76|
|[[:human_genes:C:CDCA5|CDCA5]]|1.91|0.76|
|[[:human_genes:A:ARRB2|ARRB2]]|1.92|0.76|
|[[:human_genes:S:SLK|SLK]]|1.92|0.76|
|[[:human_genes:K:KCNK17|KCNK17]]|1.94|0.76|
|[[:human_genes:M:MSLN|MSLN]]|1.94|0.76|
|[[:human_genes:G:GFI1|GFI1]]|1.98|0.76|
|[[:human_genes:P:PSMA3|PSMA3]]|1.98|0.76|
|[[:human_genes:S:SSH2|SSH2]]|2.00|0.76|
|[[:human_genes:S:SPC24|SPC24]]|2.00|0.85|
|[[:human_genes:O:OTX1|OTX1]]|2.01|0.76|
|[[:human_genes:N:NOM1|NOM1]]|2.06|0.76|
|[[:human_genes:R:RPL30|RPL30]]|2.06|0.85|
|[[:human_genes:I:INTS1|INTS1]]|2.06|0.76|
|[[:human_genes:S:SLC16A4|SLC16A4]]|2.09|0.76|
|[[:human_genes:S:SNRPF|SNRPF]]|2.12|0.85|
|[[:human_genes:P:PRMT5|PRMT5]]|2.24|0.85|
|[[:human_genes:R:RPL8|RPL8]]|2.28|0.85|
|[[:human_genes:P:PSMB4|PSMB4]]|2.28|0.76|
|[[:human_genes:P:PLK1|PLK1]]|2.30|0.76|
|[[:human_genes:I:INTS6|INTS6]]|2.34|0.76|
|[[:human_genes:N:NUP160|NUP160]]|2.45|0.76|
|[[:human_genes:U:USP17L17|USP17L17]]|2.60|0.76|
|[[:human_genes:N:NAPA|NAPA]]|2.60|0.76|
|[[:human_genes:C:CLP1|CLP1]]|2.65|0.76|
|[[:human_genes:D:DHX38|DHX38]]|2.66|0.76|
|[[:human_genes:R:RPS11|RPS11]]|2.78|0.76|
|[[:human_genes:N:NPIPA5|NPIPA5]]|3.37|0.10|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp295|Pyronaridine 1μM R06 exp295]]|0.057|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp273|Cisplatin 0.35μM R06 exp273]]|0.056|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp235|Geldanamycin 0.01μM R05 exp235]]|0.053|<button type="primary" size="small" modal="3">View</button>|
</modal>


<modal id="1" size="lg" title="HMS-I2 1μM R06 exp286  vs  Pyronaridine 1μM R06 exp295">
{{:chemogenomics:comparison_plots:exp286_vs_exp295.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Cisplatin 0.35μM R06 exp273  vs  HMS-I2 1μM R06 exp286">
{{:chemogenomics:comparison_plots:exp273_vs_exp286.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Geldanamycin 0.01μM R05 exp235  vs  HMS-I2 1μM R06 exp286">
{{:chemogenomics:comparison_plots:exp235_vs_exp286.png?nolink |}}
</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>