====== Mubritinib 0.2μM R01 exp48 ======
==== Mechanism of Action ====
Inhibits HER2 (Erb2) EGFR receptor tyrosine kinase
  * **<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>** %%Mubritinib%%
    * **<color #00a2e8>Synonyms:</color>** TAK-165
    * **<color #00a2e8>CAS #:</color>** 366017-09-6
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/6444692|6444692]]
    * **<color #00a2e8>IUPAC:</color>** %%4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
    * **<color #00a2e8>INCHI Key:</color>** ZTFBIUXIQYRUNT-MDWZMJQESA-N
    * **<color #00a2e8>Molecular Weight:</color>** 468.5
    * **<color #00a2e8>Canonical SMILES:</color>** C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
    * **<color #00a2e8>Isomeric SMILES:</color>** C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)/C=C/C4=CC=C(C=C4)C(F)(F)F
    * **<color #00a2e8>Molecular Formula:</color>** C25H23F3N4O2
{{:chemogenomics:structures:chem-0028.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Selleck Chemicals
    * **<color #00a2e8>Catalog #:</color>** S2216
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>LCMS:</color>** Tr 1.31 min, m/z 469+ [M+H]+
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** MUTRITINIB
    * **<color #00a2e8>Min:</color>** -5.4651; **<color #00a2e8>Max:</color>** 38.1718
{{:chemogenomics:dose_response:dr_96.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>**: 01
    * **<color #00a2e8>Dose</color>**: 200nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.7
    * **<color #00a2e8>Numbers of reads</color>**: 12775464


==== 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^
|3/19|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Mubritinib_0.2uM_Round-1_exp48.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='Mubritinib 0.2μM R01 exp48'>
{{:chemogenomics:cranks_plots:exp48.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GOT1|GOT1]]|-3.54|<0.01|
|[[:human_genes:P:PC|PC]]|-3.02|0.02|
|[[:human_genes:S:SUCLA2|SUCLA2]]|-2.90|0.03|
|[[:human_genes:H:HPRT1|HPRT1]]|-2.90|0.07|
|[[:human_genes:S:SDE2|SDE2]]|-2.77|0.15|
|[[:human_genes:T:TRAPPC4|TRAPPC4]]|-2.72|0.10|
|[[:human_genes:S:SEPHS2|SEPHS2]]|-2.66|0.07|
|[[:human_genes:R:RXFP2|RXFP2]]|-2.59|0.15|
|[[:human_genes:V:VPS25|VPS25]]|-2.58|0.47|
|[[:human_genes:M:MTMR4|MTMR4]]|-2.56|0.10|
|[[:human_genes:U:UROD|UROD]]|-2.53|0.16|
|[[:human_genes:P:PIWIL2|PIWIL2]]|-2.49|0.51|
|[[:human_genes:G:GPN2|GPN2]]|-2.46|0.21|
|[[:human_genes:Z:ZNF267|ZNF267]]|-2.42|0.15|
|[[:human_genes:A:ADK|ADK]]|-2.37|0.29|
|[[:human_genes:A:ADSS|ADSS]]|-2.35|0.30|
|[[:human_genes:S:SLC4A7|SLC4A7]]|-2.33|0.51|
|[[:human_genes:C:CRBN|CRBN]]|-2.31|0.51|
|[[:human_genes:N:NUDT5|NUDT5]]|-2.30|0.21|
|[[:human_genes:P:PPP1CB|PPP1CB]]|-2.30|0.60|
|[[:human_genes:S:SLC16A1|SLC16A1]]|-2.29|0.51|
|[[:human_genes:E:EXOG|EXOG]]|-2.29|0.55|
|[[:human_genes:C:CDC26|CDC26]]|-2.20|0.70|
|[[:human_genes:T:TBCD|TBCD]]|-2.20|0.55|
|[[:human_genes:C:CTSV|CTSV]]|-2.18|0.55|
|[[:human_genes:P:PNKP|PNKP]]|-2.14|0.55|
|[[:human_genes:F:FARSB|FARSB]]|-2.11|0.58|
|[[:human_genes:C:CCDC47|CCDC47]]|-2.11|0.54|
|[[:human_genes:P:PMM2|PMM2]]|-2.10|0.54|
|[[:human_genes:O:OR6N1|OR6N1]]|-2.08|0.57|
|[[:human_genes:C:CD79B|CD79B]]|2.42|0.43|
|[[:human_genes:K:KLF16|KLF16]]|2.44|0.06|
|[[:human_genes:G:GPR87|GPR87]]|2.44|0.16|
|[[:human_genes:N:NDUFA2|NDUFA2]]|2.45|0.05|
|[[:human_genes:P:PTPMT1|PTPMT1]]|2.45|0.05|
|[[:human_genes:Z:ZNF397|ZNF397]]|2.47|0.05|
|[[:human_genes:A:ATP5D|ATP5D]]|2.48|0.08|
|[[:human_genes:S:SPINK8|SPINK8]]|2.54|0.04|
|[[:human_genes:L:LDLRAP1|LDLRAP1]]|2.57|0.06|
|[[:human_genes:R:RPL11|RPL11]]|2.64|0.16|
|[[:human_genes:A:ATP5A1|ATP5A1]]|2.67|0.03|
|[[:human_genes:I:IPMK|IPMK]]|2.70|<0.01|
|[[:human_genes:A:ARRDC3|ARRDC3]]|2.70|0.08|
|[[:human_genes:Z:ZCCHC8|ZCCHC8]]|2.77|0.06|
|[[:human_genes:H:HSD17B10|HSD17B10]]|2.82|0.03|
|[[:human_genes:R:RHOBTB1|RHOBTB1]]|2.86|<0.01|
|[[:human_genes:C:C7orf26|C7orf26]]|2.87|<0.01|
|[[:human_genes:R:RTKN2|RTKN2]]|2.91|<0.01|
|[[:human_genes:R:RBM33|RBM33]]|3.00|0.03|
|[[:human_genes:R:RPL10|RPL10]]|3.01|0.15|
|[[:human_genes:M:MDH1|MDH1]]|3.04|<0.01|
|[[:human_genes:A:ASUN|ASUN]]|3.20|<0.01|
|[[:human_genes:C:CTU1|CTU1]]|3.22|<0.01|
|[[:human_genes:A:ATF7IP|ATF7IP]]|3.24|0.04|
|[[:human_genes:I:ITPK1|ITPK1]]|3.31|<0.01|
|[[:human_genes:P:PGM3|PGM3]]|3.35|<0.01|
|[[:human_genes:E:EIF3A|EIF3A]]|3.73|<0.01|
|[[:human_genes:S:SLC25A52|SLC25A52]]|3.94|<0.01|
|[[:human_genes:I:IPPK|IPPK]]|4.72|<0.01|
|[[:human_genes:S:SLC25A51|SLC25A51]]|6.22|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp439|QNZ 0.01μM R08 exp439]]|0.134|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp431|Rotenone 0.07μM R08 exp431]]|0.13|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp65|Mubritinib 0.2μM R02 exp65]]|0.119|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp241|QNZ 0.01μM R05 exp241]]|0.094|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp380|NMS-873 0.07μM R07 exp380]]|0.076|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp212|Phenformin 20μM R05 exp212]]|0.059|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp102|Nifuroxazide 5μM R03 exp102]]|0.056|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp25|Oligomycin-A 2μM R00 exp25]]|0.055|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.051|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp13|Chloramphenicol 20μM R00 exp13]]|0.095|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp274|Citral 50μM R06 exp274]]|0.057|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp447|Amiloride 100μM R08 exp447]]|0.057|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.057|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.054|<button type="primary" size="small" modal="14">View</button>|
</modal>


<modal id="1" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  QNZ 0.01μM R08 exp439">
{{:chemogenomics:comparison_plots:exp439_vs_exp48.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Rotenone 0.07μM R08 exp431">
{{:chemogenomics:comparison_plots:exp431_vs_exp48.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Mubritinib 0.2μM R02 exp65">
{{:chemogenomics:comparison_plots:exp48_vs_exp65.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  QNZ 0.01μM R05 exp241">
{{:chemogenomics:comparison_plots:exp241_vs_exp48.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  NMS-873 0.07μM R07 exp380">
{{:chemogenomics:comparison_plots:exp380_vs_exp48.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Phenformin 20μM R05 exp212">
{{:chemogenomics:comparison_plots:exp212_vs_exp48.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Nifuroxazide 5μM R03 exp102">
{{:chemogenomics:comparison_plots:exp102_vs_exp48.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Oligomycin-A 2μM R00 exp25">
{{:chemogenomics:comparison_plots:exp25_vs_exp48.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Mubritinib 0.2μM R01 exp48  vs  Thimerosal 0.85μM R08 exp529">
{{:chemogenomics:comparison_plots:exp48_vs_exp529.png?nolink |}}
</modal>

<modal id="10" size="lg" title="Chloramphenicol 20μM R00 exp13  vs  Mubritinib 0.2μM R01 exp48">
{{:chemogenomics:comparison_plots:exp13_vs_exp48.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Citral 50μM R06 exp274  vs  Mubritinib 0.2μM R01 exp48">
{{:chemogenomics:comparison_plots:exp274_vs_exp48.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Amiloride 100μM R08 exp447  vs  Mubritinib 0.2μM R01 exp48">
{{:chemogenomics:comparison_plots:exp447_vs_exp48.png?nolink |}}
</modal>

<modal id="13" size="lg" title="Hippuristanol 0.12μM R08 exp488  vs  Mubritinib 0.2μM R01 exp48">
{{:chemogenomics:comparison_plots:exp48_vs_exp488.png?nolink |}}
</modal>

<modal id="14" size="lg" title="Artemisinin 50μM R08 exp450  vs  Mubritinib 0.2μM R01 exp48">
{{:chemogenomics:comparison_plots:exp450_vs_exp48.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|GMP salvage|285.47|HPRT1,ADK|
|purine ribonucleoside monophosphate biosynthetic process|95.16|HPRT1,ADK,ADSS2|
|purine nucleoside monophosphate biosynthetic process|85.64|HPRT1,ADK,ADSS2|
|AMP metabolic process|77.85|HPRT1,ADK,ADSS2|
|ribonucleoside monophosphate biosynthetic process|50.38|HPRT1,ADK,ADSS2|
|purine nucleotide metabolic process|10.02|PC,SUCLA2,HPRT1,ADK,ADSS2,SLC4A7,NUDT5|
|purine-containing compound metabolic process|9.36|PC,SUCLA2,HPRT1,ADK,ADSS2,SLC4A7,NUDT5|
|nucleotide metabolic process|8.75|PC,SUCLA2,HPRT1,ADK,ADSS2,SLC4A7,NUDT5|
|nucleoside phosphate metabolic process|8.58|PC,SUCLA2,HPRT1,ADK,ADSS2,SLC4A7,NUDT5|
|nucleobase-containing small molecule metabolic process|8.54|PC,SUCLA2,HPRT1,ADK,ADSS2,SLC4A7,NUDT5,PMM2|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|NAD transmembrane transporter activity|275.95|SLC25A51,SLC25A52|
|inositol tetrakisphosphate kinase activity|275.95|ITPK1,IPMK|
|NAD transport|220.76|SLC25A51,SLC25A52|
|oxidative phosphorylation|22.30|SLC25A51,ATP5F1A,ATP5F1D,NDUFA2|
</modal>