====== LJH685 50μM R08 exp433 ======
==== Mechanism of Action ====
Inhibits p90 ribosomal S6 kinase (RSK)
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%2,6-Difluoro-4-{4-[4-(4-Methylpiperazin-1-Yl)phenyl]pyridin-3-Yl}phenol%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1627710-50-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/73010393|73010393]]
    * **<color #00a2e8>IUPAC:</color>** %%2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
    * **<color #00a2e8>INCHI Key:</color>** IKUFKDGKRLMXEX-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 381.4
    * **<color #00a2e8>Canonical SMILES:</color>** CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C22H21F2N3O
{{:chemogenomics:structures:chem-0049.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-19712
    * **<color #00a2e8>Lot #:</color>** 20222
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H21F2N3O 382.17255; found 382.17299
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** LJH685
    * **<color #00a2e8>Min:</color>** -18.8115; **<color #00a2e8>Max:</color>** 9.8266
{{:chemogenomics:dose_response:dr_552.png?nolink&500 |}}
\\ 
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 50µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.8
    * **<color #00a2e8>Numbers of reads</color>**: 19135425


==== 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^
|5/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/LJH685_50uM_Round-8_exp433.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='LJH685 50μM R08 exp433'>
{{:chemogenomics:cranks_plots:exp433.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC7A6|SLC7A6]]|-3.29|<0.01|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-3.19|<0.01|
|[[:human_genes:F:FAM180B|FAM180B]]|-3.06|0.02|
|[[:human_genes:V:VAC14|VAC14]]|-3.00|<0.01|
|[[:human_genes:F:FDPS|FDPS]]|-2.88|0.02|
|[[:human_genes:S:STARD3|STARD3]]|-2.66|0.13|
|[[:human_genes:A:ARFRP1|ARFRP1]]|-2.41|0.14|
|[[:human_genes:C:C9orf114|C9orf114]]|-2.39|0.14|
|[[:human_genes:C:CNOT3|CNOT3]]|-2.37|0.28|
|[[:human_genes:B:BBIP1|BBIP1]]|-2.35|0.13|
|[[:human_genes:T:TCF4|TCF4]]|-2.33|0.13|
|[[:human_genes:K:KDSR|KDSR]]|-2.30|0.14|
|[[:human_genes:G:GLE1|GLE1]]|-2.27|0.59|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.27|0.14|
|[[:human_genes:H:HTR1B|HTR1B]]|-2.24|0.48|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.22|0.28|
|[[:human_genes:H:HNRNPH1|HNRNPH1]]|-2.10|0.28|
|[[:human_genes:A:ADAM20|ADAM20]]|-2.06|0.28|
|[[:human_genes:C:CSDE1|CSDE1]]|-2.06|0.28|
|[[:human_genes:R:RBM5|RBM5]]|-2.06|0.28|
|[[:human_genes:A:ARL1|ARL1]]|-2.04|0.29|
|[[:human_genes:T:TCF3|TCF3]]|-2.04|0.50|
|[[:human_genes:H:HIST1H4E|HIST1H4E]]|-2.02|0.29|
|[[:human_genes:R:RPS23|RPS23]]|-2.01|0.29|
|[[:human_genes:Z:ZC3H13|ZC3H13]]|-2.01|0.29|
|[[:human_genes:D:DPF3|DPF3]]|-2.01|0.29|
|[[:human_genes:B:BRD1|BRD1]]|-1.99|0.31|
|[[:human_genes:C:CCDC27|CCDC27]]|-1.96|0.73|
|[[:human_genes:R:RPS27A|RPS27A]]|-1.96|0.35|
|[[:human_genes:Q:QARS|QARS]]|-1.94|0.80|
|[[:human_genes:R:RUNDC1|RUNDC1]]|1.96|0.34|
|[[:human_genes:N:NSUN6|NSUN6]]|1.97|0.34|
|[[:human_genes:S:SHMT2|SHMT2]]|1.97|0.55|
|[[:human_genes:W:WARS2|WARS2]]|1.99|0.34|
|[[:human_genes:E:ENO1|ENO1]]|1.99|0.60|
|[[:human_genes:P:PCIF1|PCIF1]]|2.03|0.33|
|[[:human_genes:M:MDN1|MDN1]]|2.04|0.60|
|[[:human_genes:P:PTPMT1|PTPMT1]]|2.05|0.60|
|[[:human_genes:G:GLRX5|GLRX5]]|2.09|0.50|
|[[:human_genes:D:DUS1L|DUS1L]]|2.11|0.34|
|[[:human_genes:M:MTIF3|MTIF3]]|2.13|0.34|
|[[:human_genes:S:SCAP|SCAP]]|2.13|0.22|
|[[:human_genes:P:PIP5KL1|PIP5KL1]]|2.13|0.34|
|[[:human_genes:S:SGCG|SGCG]]|2.15|0.22|
|[[:human_genes:M:MCUR1|MCUR1]]|2.17|0.32|
|[[:human_genes:A:AP1G1|AP1G1]]|2.18|0.21|
|[[:human_genes:G:GCLM|GCLM]]|2.23|0.17|
|[[:human_genes:K:KIAA0195|KIAA0195]]|2.23|0.25|
|[[:human_genes:M:MBTPS1|MBTPS1]]|2.23|0.34|
|[[:human_genes:N:NDUFAF6|NDUFAF6]]|2.25|0.17|
|[[:human_genes:M:MBNL1|MBNL1]]|2.26|0.17|
|[[:human_genes:D:DPM1|DPM1]]|2.27|0.22|
|[[:human_genes:P:PEX13|PEX13]]|2.34|0.12|
|[[:human_genes:H:HTRA2|HTRA2]]|2.35|0.12|
|[[:human_genes:C:CCZ1|CCZ1]]|2.37|0.12|
|[[:human_genes:R:RALGAPB|RALGAPB]]|2.39|0.12|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.46|0.11|
|[[:human_genes:T:TRPM4|TRPM4]]|2.64|0.11|
|[[:human_genes:K:KLF16|KLF16]]|2.79|0.10|
|[[:human_genes:G:GSTO1|GSTO1]]|3.21|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp83|Trametinib 10μM R02 exp83]]|0.069|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.058|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.054|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.053|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp155|UNC1999 2μM R03 exp155]]|0.052|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp506|Momordin-Ic 10μM R08 exp506]]|0.051|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp452|Azithromycin 100μM R08 exp452]]|0.068|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.066|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.059|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.058|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp470|Chloroquine 32μM R08 exp470]]|0.053|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.052|<button type="primary" size="small" modal="12">View</button>|
</modal>


<modal id="1" size="lg" title="LJH685 50μM R08 exp433  vs  Trametinib 10μM R02 exp83">
{{:chemogenomics:comparison_plots:exp433_vs_exp83.png?nolink |}}
</modal>

<modal id="2" size="lg" title="LJH685 50μM R08 exp433  vs  Thioridazine 5μM R08 exp530">
{{:chemogenomics:comparison_plots:exp433_vs_exp530.png?nolink |}}
</modal>

<modal id="3" size="lg" title="LJH685 50μM R08 exp433  vs  Nicotine 3000μM R08 exp510">
{{:chemogenomics:comparison_plots:exp433_vs_exp510.png?nolink |}}
</modal>

<modal id="4" size="lg" title="LJH685 50μM R08 exp433  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp433_vs_exp508.png?nolink |}}
</modal>

<modal id="5" size="lg" title="LJH685 50μM R08 exp433  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp433.png?nolink |}}
</modal>

<modal id="6" size="lg" title="LJH685 50μM R08 exp433  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp433_vs_exp506.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Azithromycin 100μM R08 exp452  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp433_vs_exp452.png?nolink |}}
</modal>

<modal id="8" size="lg" title="B02 10μM R08 exp453  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp433_vs_exp453.png?nolink |}}
</modal>

<modal id="9" size="lg" title="CCT251545 20μM R07 exp326  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp326_vs_exp433.png?nolink |}}
</modal>

<modal id="10" size="lg" title="FTY720 3μM R08 exp483  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp433_vs_exp483.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Chloroquine 32μM R08 exp470  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp433_vs_exp470.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Cannabidiol 20μM R08 exp466  vs  LJH685 50μM R08 exp433">
{{:chemogenomics:comparison_plots:exp433_vs_exp466.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>