====== NMS-873 0.07μM R07 exp380 ======
==== Mechanism of Action ====
Inhibits p97 AAA-ATPase
  * **<color #00a2e8>Class / Subclass 1:</color>** Proteostasis / Ubiquitin-Proteasome Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%CID 71521142%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1418013-75-8
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/71521142|71521142]]
    * **<color #00a2e8>IUPAC:</color>** %%3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
    * **<color #00a2e8>INCHI Key:</color>** UJGTUKMAJVCBIS-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 520.7
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CN=CC=C3)SC4CCCC4)C5=CC=C(C=C5)S(=O)(=O)C
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C27H28N4O3S2
{{:chemogenomics:structures:chem-0227.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Ark Pharm Inc.
    * **<color #00a2e8>Catalog #:</color>** AK175592
    * **<color #00a2e8>Lot #:</color>** WG0305592-170215001
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C27H28N4O3S2 521.16756; found 521.16873
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** NMS-873
    * **<color #00a2e8>Min:</color>** 2.2487; **<color #00a2e8>Max:</color>** 99.2142
{{:chemogenomics:dose_response:dr_394.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0307    |
| IC30  |0.0729    |
| IC40  |0.1455    |
| IC50  |0.2720    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 07
    * **<color #00a2e8>Dose</color>**: 70nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.2
    * **<color #00a2e8>Numbers of reads</color>**: 19956950


==== 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^
|1/5|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/NMS-873_0.07uM_Round-7_exp380.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='NMS-873 0.07μM R07 exp380'>
{{:chemogenomics:cranks_plots:exp380.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GOT1|GOT1]]|-5.76|<0.01|
|[[:human_genes:A:ALDOA|ALDOA]]|-3.13|0.30|
|[[:human_genes:R:RSRC2|RSRC2]]|-2.59|0.46|
|[[:human_genes:S:SUCLG1|SUCLG1]]|-2.57|0.30|
|[[:human_genes:V:VPS25|VPS25]]|-2.47|0.44|
|[[:human_genes:S:SUCLA2|SUCLA2]]|-2.40|0.30|
|[[:human_genes:M:MSL1|MSL1]]|-2.39|0.30|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.35|0.44|
|[[:human_genes:A:APOBEC3F|APOBEC3F]]|-2.33|0.30|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.28|0.30|
|[[:human_genes:E:ENO1|ENO1]]|-2.27|0.30|
|[[:human_genes:N:NCLN|NCLN]]|-2.21|0.33|
|[[:human_genes:P:PTEN|PTEN]]|-2.18|0.30|
|[[:human_genes:I:INTS3|INTS3]]|-2.18|0.44|
|[[:human_genes:K:KIDINS220|KIDINS220]]|-2.17|0.30|
|[[:human_genes:G:GPI|GPI]]|-2.15|0.50|
|[[:human_genes:L:LIPT1|LIPT1]]|-2.13|0.30|
|[[:human_genes:H:HK1|HK1]]|-2.11|0.31|
|[[:human_genes:G:GIGYF2|GIGYF2]]|-2.10|0.47|
|[[:human_genes:S:SOD2|SOD2]]|-2.06|0.44|
|[[:human_genes:T:TRADD|TRADD]]|-2.05|0.44|
|[[:human_genes:A:AHCYL1|AHCYL1]]|-2.05|0.44|
|[[:human_genes:W:WDR20|WDR20]]|-2.02|0.44|
|[[:human_genes:M:MED20|MED20]]|-2.00|0.44|
|[[:human_genes:C:CCDC101|CCDC101]]|-2.00|0.44|
|[[:human_genes:C:CLEC4C|CLEC4C]]|-1.98|0.44|
|[[:human_genes:G:GCDH|GCDH]]|-1.96|0.44|
|[[:human_genes:C:CXorf51A|CXorf51A]]|-1.95|0.44|
|[[:human_genes:Y:YRDC|YRDC]]|-1.95|0.47|
|[[:human_genes:C:CXorf51B|CXorf51B]]|-1.94|0.44|
|[[:human_genes:W:WARS2|WARS2]]|2.09|0.24|
|[[:human_genes:N:NDUFA1|NDUFA1]]|2.11|0.24|
|[[:human_genes:C:CTU1|CTU1]]|2.12|0.19|
|[[:human_genes:M:MTG1|MTG1]]|2.12|0.24|
|[[:human_genes:K:KLF16|KLF16]]|2.12|0.30|
|[[:human_genes:C:CLK1|CLK1]]|2.13|0.19|
|[[:human_genes:P:PANX3|PANX3]]|2.18|0.24|
|[[:human_genes:A:ATP5A1|ATP5A1]]|2.19|0.14|
|[[:human_genes:Z:ZNF343|ZNF343]]|2.24|0.19|
|[[:human_genes:W:WDR83|WDR83]]|2.24|0.13|
|[[:human_genes:F:FAM98B|FAM98B]]|2.26|0.13|
|[[:human_genes:F:FOXA3|FOXA3]]|2.29|0.13|
|[[:human_genes:G:GFM2|GFM2]]|2.29|0.13|
|[[:human_genes:B:BRMS1|BRMS1]]|2.31|0.24|
|[[:human_genes:M:MRPS35|MRPS35]]|2.35|0.23|
|[[:human_genes:M:MIR205HG|MIR205HG]]|2.39|0.57|
|[[:human_genes:S:SHMT2|SHMT2]]|2.40|0.13|
|[[:human_genes:P:PTMA|PTMA]]|2.41|0.13|
|[[:human_genes:H:HSCB|HSCB]]|2.42|0.08|
|[[:human_genes:S:SIN3A|SIN3A]]|2.47|0.24|
|[[:human_genes:R:RPS3A|RPS3A]]|2.48|0.14|
|[[:human_genes:P:PDS5B|PDS5B]]|2.60|0.05|
|[[:human_genes:R:RPL11|RPL11]]|2.60|0.24|
|[[:human_genes:A:ATP5B|ATP5B]]|2.70|0.03|
|[[:human_genes:A:ATP5L|ATP5L]]|2.73|0.08|
|[[:human_genes:I:ITPK1|ITPK1]]|2.79|0.02|
|[[:human_genes:A:ATP5D|ATP5D]]|2.83|0.07|
|[[:human_genes:C:CCND3|CCND3]]|2.96|0.13|
|[[:human_genes:A:ACSL3|ACSL3]]|3.18|<0.01|
|[[:human_genes:S:SLC25A51|SLC25A51]]|4.12|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp241|QNZ 0.01μM R05 exp241]]|0.107|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp431|Rotenone 0.07μM R08 exp431]]|0.104|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp212|Phenformin 20μM R05 exp212]]|0.091|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp439|QNZ 0.01μM R08 exp439]]|0.088|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp143|Phenformin 20μM R03 exp143]]|0.051|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp48|Mubritinib 0.2μM R01 exp48]]|0.076|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp65|Mubritinib 0.2μM R02 exp65]]|0.059|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp13|Chloramphenicol 20μM R00 exp13]]|0.052|<button type="primary" size="small" modal="8">View</button>|
</modal>


<modal id="1" size="lg" title="NMS-873 0.07μM R07 exp380  vs  QNZ 0.01μM R05 exp241">
{{:chemogenomics:comparison_plots:exp241_vs_exp380.png?nolink |}}
</modal>

<modal id="2" size="lg" title="NMS-873 0.07μM R07 exp380  vs  Rotenone 0.07μM R08 exp431">
{{:chemogenomics:comparison_plots:exp380_vs_exp431.png?nolink |}}
</modal>

<modal id="3" size="lg" title="NMS-873 0.07μM R07 exp380  vs  Phenformin 20μM R05 exp212">
{{:chemogenomics:comparison_plots:exp212_vs_exp380.png?nolink |}}
</modal>

<modal id="4" size="lg" title="NMS-873 0.07μM R07 exp380  vs  QNZ 0.01μM R08 exp439">
{{:chemogenomics:comparison_plots:exp380_vs_exp439.png?nolink |}}
</modal>

<modal id="5" size="lg" title="NMS-873 0.07μM R07 exp380  vs  Phenformin 20μM R03 exp143">
{{:chemogenomics:comparison_plots:exp143_vs_exp380.png?nolink |}}
</modal>

<modal id="6" 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="7" size="lg" title="Mubritinib 0.2μM R02 exp65  vs  NMS-873 0.07μM R07 exp380">
{{:chemogenomics:comparison_plots:exp380_vs_exp65.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Chloramphenicol 20μM R00 exp13  vs  NMS-873 0.07μM R07 exp380">
{{:chemogenomics:comparison_plots:exp13_vs_exp380.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|succinate-CoA ligase activity|637.65|SUCLG1,SUCLA2|
|glycolytic process|60.73|ALDOA,ENO1,GPI,HK1|
|pyruvate metabolic process|38.07|ALDOA,ENO1,GPI,HK1|
|carbohydrate catabolic process|23.62|ALDOA,ENO1,GPI,HK1|
|glucose metabolic process|21.80|GOT1,ENO1,GPI,HK1|
|hexose metabolic process|20.31|GOT1,ALDOA,ENO1,GPI,HK1|
|monosaccharide metabolic process|17.14|GOT1,ALDOA,ENO1,GPI,HK1|
|generation of precursor metabolites and energy|11.87|ALDOA,SUCLG1,SUCLA2,ENO1,GPI,HK1,SOD2|
|oxoacid metabolic process|6.15|GOT1,ALDOA,SUCLA2,ENO1,GPI,LIPT1,HK1,GCDH|
|organic acid metabolic process|6.09|GOT1,ALDOA,SUCLA2,ENO1,GPI,LIPT1,HK1,GCDH|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|proton-transporting ATP synthase activity, rotational mechanism|157.90|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A|
|mitochondrial proton-transporting ATP synthase complex|147.37|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A|
|proton-transporting ATP synthase complex|138.16|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A|
|proton channel activity|100.48|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A|
|proton motive force-driven mitochondrial ATP synthesis|52.14|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|proton motive force-driven ATP synthesis|46.05|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|ATP biosynthetic process|39.47|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|purine ribonucleoside triphosphate biosynthetic process|34.11|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|purine nucleoside triphosphate biosynthetic process|33.70|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|oxidative phosphorylation|33.49|SLC25A51,ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|ribonucleoside triphosphate biosynthetic process|32.13|ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|aerobic respiration|23.52|SLC25A51,ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|ligase activity|20.72|ACSL3,ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,WARS2|
|cellular respiration|19.62|SLC25A51,ATP5F1D,ATP5MG,ATP5F1B,ATP5F1A,NDUFA1|
|purine-containing compound biosynthetic process|17.50|ACSL3,ATP5F1D,ATP5MG,ATP5F1B,SHMT2,ATP5F1A,NDUFA1|
|mitochondrial inner membrane|10.84|SLC25A51,ATP5F1D,ATP5MG,ATP5F1B,SHMT2,MRPS35,ATP5F1A,MTG1,NDUFA1|
|organelle inner membrane|9.73|SLC25A51,ATP5F1D,ATP5MG,ATP5F1B,SHMT2,MRPS35,ATP5F1A,MTG1,NDUFA1|
|mitochondrial membrane|7.83|SLC25A51,ACSL3,ATP5F1D,ATP5MG,ATP5F1B,SHMT2,MRPS35,ATP5F1A,MTG1,NDUFA1|
|mitochondrial envelope|7.35|SLC25A51,ACSL3,ATP5F1D,ATP5MG,ATP5F1B,SHMT2,MRPS35,ATP5F1A,MTG1,NDUFA1|
</modal>