====== NN-Dimethylsphingosine 2.5μM R08 exp508 ======
==== Mechanism of Action ====
Inhibits sphingosine kinase, blocks sphingosine 1-phosphate (SPP) formation
  * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Metabolite
  * **<color #00a2e8>Class / Subclass 2:</color>** Signal Transduction / Kinase Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%N,N-Dimethylsphingosine%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 119567-63-4
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/5282309|5282309]]
    * **<color #00a2e8>IUPAC:</color>** %%(E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** YRXOQXUDKDCXME-YIVRLKKSSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 327.5
    * **<color #00a2e8>Canonical SMILES:</color>** CCCCCCCCCCCCCC=CC(C(CO)N(C)C)O
    * **<color #00a2e8>Isomeric SMILES:</color>** CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O
    * **<color #00a2e8>Molecular Formula:</color>** C20H41NO2
{{:chemogenomics:structures:chem-0313.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** D479250
    * **<color #00a2e8>Lot #:</color>** 5-EQJ-177-1
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C20H41NO2 328.32101; found 328.32233
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Dimethylshingosin
    * **<color #00a2e8>Min:</color>** -2.8924; **<color #00a2e8>Max:</color>** 99.8117
{{:chemogenomics:dose_response:dr_611.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |1.3900    |
| IC20  |2.0420    |
| IC30  |2.6360    |
| IC40  |3.2510    |
| IC50  |3.9400    |
| IC60  |4.7760    |
| IC70  |5.8890    |
| IC80  |7.6050    |
| IC90  |11.1700    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 2.5µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.0
    * **<color #00a2e8>Numbers of reads</color>**: 16381568


==== 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^
|9/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/NN-Dimethylsphingosine_2.5uM_Round-8_exp508.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="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='NN-Dimethylsphingosine 2.5μM R08 exp508'>
{{:chemogenomics:cranks_plots:exp508.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC5A3|SLC5A3]]|-4.21|<0.01|
|[[:human_genes:T:TCF4|TCF4]]|-3.49|<0.01|
|[[:human_genes:E:ELOVL1|ELOVL1]]|-3.11|<0.01|
|[[:human_genes:F:FDPS|FDPS]]|-2.92|0.01|
|[[:human_genes:R:RAB7A|RAB7A]]|-2.92|<0.01|
|[[:human_genes:K:KIAA1432|KIAA1432]]|-2.83|0.02|
|[[:human_genes:A:AGPAT2|AGPAT2]]|-2.80|0.02|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.80|0.01|
|[[:human_genes:H:HSD17B12|HSD17B12]]|-2.65|0.09|
|[[:human_genes:M:MBTPS1|MBTPS1]]|-2.60|0.10|
|[[:human_genes:C:CHKA|CHKA]]|-2.54|0.03|
|[[:human_genes:C:CYLC2|CYLC2]]|-2.40|0.07|
|[[:human_genes:A:ARL1|ARL1]]|-2.27|0.11|
|[[:human_genes:C:C18orf8|C18orf8]]|-2.24|0.12|
|[[:human_genes:S:SEC14L1|SEC14L1]]|-2.21|0.13|
|[[:human_genes:N:NFAT5|NFAT5]]|-2.21|0.13|
|[[:human_genes:P:PSPC1|PSPC1]]|-2.19|0.13|
|[[:human_genes:M:MTMR4|MTMR4]]|-2.18|0.13|
|[[:human_genes:D:DNAJC21|DNAJC21]]|-2.15|0.20|
|[[:human_genes:R:RASL10A|RASL10A]]|-2.14|0.16|
|[[:human_genes:K:KAT7|KAT7]]|-2.12|0.16|
|[[:human_genes:D:DNAJC13|DNAJC13]]|-2.12|0.16|
|[[:human_genes:U:UXS1|UXS1]]|-2.11|0.16|
|[[:human_genes:A:ACSL4|ACSL4]]|-2.11|0.22|
|[[:human_genes:S:SIRT5|SIRT5]]|-2.11|0.16|
|[[:human_genes:P:PEX7|PEX7]]|-2.10|0.16|
|[[:human_genes:W:WEE1|WEE1]]|-2.10|0.50|
|[[:human_genes:C:CDIPT|CDIPT]]|-2.07|0.45|
|[[:human_genes:T:TCF12|TCF12]]|-2.06|0.24|
|[[:human_genes:F:FDFT1|FDFT1]]|-2.06|0.20|
|[[:human_genes:A:ADAM15|ADAM15]]|1.85|0.76|
|[[:human_genes:C:CEP55|CEP55]]|1.86|0.76|
|[[:human_genes:A:ATP12A|ATP12A]]|1.86|0.76|
|[[:human_genes:P:PREB|PREB]]|1.87|0.76|
|[[:human_genes:N:NLRP8|NLRP8]]|1.87|0.76|
|[[:human_genes:P:PFKFB2|PFKFB2]]|1.89|0.76|
|[[:human_genes:C:CDKN1A|CDKN1A]]|1.90|0.76|
|[[:human_genes:B:BPIFA3|BPIFA3]]|1.90|0.76|
|[[:human_genes:D:DUSP1|DUSP1]]|1.90|0.76|
|[[:human_genes:K:KLHDC10|KLHDC10]]|1.91|0.76|
|[[:human_genes:P:PDE10A|PDE10A]]|1.91|0.76|
|[[:human_genes:F:FEZF2|FEZF2]]|1.92|0.76|
|[[:human_genes:G:GTF3A|GTF3A]]|1.93|0.77|
|[[:human_genes:W:WDR26|WDR26]]|1.94|0.76|
|[[:human_genes:R:RPA1|RPA1]]|1.96|0.83|
|[[:human_genes:R:RASAL3|RASAL3]]|1.97|0.76|
|[[:human_genes:A:ARHGEF28|ARHGEF28]]|1.97|0.76|
|[[:human_genes:C:CD72|CD72]]|1.98|0.76|
|[[:human_genes:R:RYR2|RYR2]]|1.98|0.76|
|[[:human_genes:N:NDUFAF4|NDUFAF4]]|1.98|0.76|
|[[:human_genes:N:NPRL3|NPRL3]]|2.02|0.76|
|[[:human_genes:B:B3GNTL1|B3GNTL1]]|2.06|0.76|
|[[:human_genes:R:RPL36A-HNRNPH2|RPL36A-HNRNPH2]]|2.09|0.83|
|[[:human_genes:W:WDR36|WDR36]]|2.11|0.76|
|[[:human_genes:N:NOTCH2NL|NOTCH2NL]]|2.11|0.76|
|[[:human_genes:U:UTP3|UTP3]]|2.14|0.76|
|[[:human_genes:P:PRKAA1|PRKAA1]]|2.24|0.47|
|[[:human_genes:C:C4orf29|C4orf29]]|2.29|0.45|
|[[:human_genes:E:EIF3A|EIF3A]]|2.47|0.21|
|[[:human_genes:F:FAM122A|FAM122A]]|2.51|0.21|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.104|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp155|UNC1999 2μM R03 exp155]]|0.077|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp77|Prochlorperazine 5.2μM R02 exp77]]|0.076|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp149|SB203580 25μM R03 exp149]]|0.069|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp151|SGC0946 7μM R03 exp151]]|0.063|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.063|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp538|ZLN024 50μM R08 exp538]]|0.061|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.057|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.056|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.107|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp490|Hydroxychloroquine 30μM R08 exp490]]|0.095|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp452|Azithromycin 100μM R08 exp452]]|0.093|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.085|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp470|Chloroquine 32μM R08 exp470]]|0.079|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.068|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp124|GSK343 3μM R03 exp124]]|0.067|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.066|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.065|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp506|Momordin-Ic 10μM R08 exp506]]|0.064|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp457|Bisphenol F 50μM R08 exp457]]|0.064|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp442|Ibrutinib 10μM R08 exp442]]|0.061|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.058|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp465|Cannabidiol 13μM R08 exp465]]|0.056|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.053|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp433|LJH685 50μM R08 exp433]]|0.053|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.052|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp504|MK2206 4μM R08 exp504]]|0.052|<button type="primary" size="small" modal="27">View</button>|
</modal>


<modal id="1" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  Thioridazine 5μM R08 exp530">
{{:chemogenomics:comparison_plots:exp508_vs_exp530.png?nolink |}}
</modal>

<modal id="2" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp508.png?nolink |}}
</modal>

<modal id="3" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  Prochlorperazine 5.2μM R02 exp77">
{{:chemogenomics:comparison_plots:exp508_vs_exp77.png?nolink |}}
</modal>

<modal id="4" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  SB203580 25μM R03 exp149">
{{:chemogenomics:comparison_plots:exp149_vs_exp508.png?nolink |}}
</modal>

<modal id="5" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp508.png?nolink |}}
</modal>

<modal id="6" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  Q15 1 to 2μM on day4 R04 exp164">
{{:chemogenomics:comparison_plots:exp164_vs_exp508.png?nolink |}}
</modal>

<modal id="7" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  ZLN024 50μM R08 exp538">
{{:chemogenomics:comparison_plots:exp508_vs_exp538.png?nolink |}}
</modal>

<modal id="8" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp508.png?nolink |}}
</modal>

<modal id="9" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  Nicotine 3000μM R08 exp510">
{{:chemogenomics:comparison_plots:exp508_vs_exp510.png?nolink |}}
</modal>

<modal id="10" size="lg" title="FTY720 3μM R08 exp483  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp483_vs_exp508.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Hydroxychloroquine 30μM R08 exp490  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp490_vs_exp508.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Azithromycin 100μM R08 exp452  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp452_vs_exp508.png?nolink |}}
</modal>

<modal id="13" size="lg" title="Chlorpromazine 10μM R07 exp344  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp344_vs_exp508.png?nolink |}}
</modal>

<modal id="14" size="lg" title="Chloroquine 32μM R08 exp470  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp470_vs_exp508.png?nolink |}}
</modal>

<modal id="15" size="lg" title="B02 10μM R08 exp453  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp453_vs_exp508.png?nolink |}}
</modal>

<modal id="16" size="lg" title="GSK343 3μM R03 exp124  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp124_vs_exp508.png?nolink |}}
</modal>

<modal id="17" size="lg" title="IU1-47 25μM R04 exp182  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp182_vs_exp508.png?nolink |}}
</modal>

<modal id="18" size="lg" title="EPZ-5676 30μM R05 exp233  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp233_vs_exp508.png?nolink |}}
</modal>

<modal id="19" size="lg" title="Momordin-Ic 10μM R08 exp506  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp506_vs_exp508.png?nolink |}}
</modal>

<modal id="20" size="lg" title="Bisphenol F 50μM R08 exp457  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp457_vs_exp508.png?nolink |}}
</modal>

<modal id="21" size="lg" title="Ibrutinib 10μM R08 exp442  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp442_vs_exp508.png?nolink |}}
</modal>

<modal id="22" size="lg" title="CB-839 10μM R05 exp224  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp224_vs_exp508.png?nolink |}}
</modal>

<modal id="23" size="lg" title="Cannabidiol 13μM R08 exp465  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp465_vs_exp508.png?nolink |}}
</modal>

<modal id="24" size="lg" title="Clomiphene 4.4μM R02 exp68  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp508_vs_exp68.png?nolink |}}
</modal>

<modal id="25" 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="26" size="lg" title="BS-181 20μM R08 exp461  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp461_vs_exp508.png?nolink |}}
</modal>

<modal id="27" size="lg" title="MK2206 4μM R08 exp504  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp504_vs_exp508.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|long-chain fatty-acyl-CoA biosynthetic process|98.62|ELOVL1,HSD17B12,ACSL4|
|long-chain fatty-acyl-CoA metabolic process|73.97|ELOVL1,HSD17B12,ACSL4|
|fatty-acyl-CoA biosynthetic process|71.01|ELOVL1,HSD17B12,ACSL4|
|lipid biosynthetic process|9.29|ELOVL1,FDPS,AGPAT2,HSD17B12,CHKA,MTMR4,ACSL4,PEX7,CDIPT|
|organophosphate biosynthetic process|9.17|ELOVL1,FDPS,AGPAT2,HSD17B12,CHKA,MTMR4,ACSL4,CDIPT|
|cellular lipid metabolic process|6.04|ELOVL1,FDPS,AGPAT2,HSD17B12,CHKA,MTMR4,ACSL4,PEX7,CDIPT|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>