Deguelin 0.15μM R05 exp209 [The Human Chemical-Genetic Interaction Map Project]

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====== Deguelin 0.15μM R05 exp209 ======
==== Mechanism of Action ====
Derivative of rotenone, putative AKT inhibitor, complex I inhibitor
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor
  * **<color #00a2e8>Class / Subclass 2:</color>** Organelle Function / Mitochondrial Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Deguelin%%
    * **<color #00a2e8>Synonyms:</color>** (-)-Deguelin; (-)-cis-Deguelin
    * **<color #00a2e8>CAS #:</color>** 522-17-8
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/107935|107935]]
    * **<color #00a2e8>IUPAC:</color>** %%(1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** ORDAZKGHSNRHTD-UXHICEINSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 394.4
    * **<color #00a2e8>Canonical SMILES:</color>** CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)C
    * **<color #00a2e8>Isomeric SMILES:</color>** CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)C
    * **<color #00a2e8>Molecular Formula:</color>** C23H22O6
{{:chemogenomics:structures:chem-0045.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Sigma-Aldrich
    * **<color #00a2e8>Catalog #:</color>** D0817
    * **<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 C23H22O6 395.14891; found 395.1502
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Deguelin
    * **<color #00a2e8>Min:</color>** -2.8408; **<color #00a2e8>Max:</color>** 53.9955
{{:chemogenomics:dose_response:dr_206.png?nolink&500 |}}
\\ 
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0361    |
| IC30  |0.1813    |
| IC40  |0.6806    |
| IC50  |2.2916    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 150nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 5.6
    * **<color #00a2e8>Numbers of reads</color>**: 18916253


==== 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^
|1/4|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Deguelin_0.15uM_Round-5_exp209.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='Deguelin 0.15μM R05 exp209'>
{{:chemogenomics:cranks_plots:exp209.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GOT1|GOT1]]|-3.44|<0.01|
|[[:human_genes:H:HPRT1|HPRT1]]|-2.60|0.13|
|[[:human_genes:M:MCM9|MCM9]]|-2.60|0.13|
|[[:human_genes:S:SLC25A39|SLC25A39]]|-2.52|0.13|
|[[:human_genes:C:CD86|CD86]]|-2.45|0.22|
|[[:human_genes:O:ORC3|ORC3]]|-2.43|0.22|
|[[:human_genes:Z:ZFP91|ZFP91]]|-2.24|0.25|
|[[:human_genes:D:DEXI|DEXI]]|-2.16|0.34|
|[[:human_genes:K:KHDRBS1|KHDRBS1]]|-2.12|0.36|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.11|0.50|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.11|0.57|
|[[:human_genes:C:CAPZB|CAPZB]]|-2.11|0.36|
|[[:human_genes:A:ATRNL1|ATRNL1]]|-2.10|0.36|
|[[:human_genes:A:ATXN2|ATXN2]]|-2.03|0.50|
|[[:human_genes:T:TSC2|TSC2]]|-2.03|0.48|
|[[:human_genes:Z:ZNF202|ZNF202]]|-2.01|0.50|
|[[:human_genes:S:SUCLG1|SUCLG1]]|-2.00|0.50|
|[[:human_genes:C:CAPZA1|CAPZA1]]|-1.99|0.50|
|[[:human_genes:G:GCLC|GCLC]]|-1.98|0.50|
|[[:human_genes:A:AQP11|AQP11]]|-1.98|0.50|
|[[:human_genes:T:TRAPPC1|TRAPPC1]]|-1.96|0.50|
|[[:human_genes:R:RPL13A|RPL13A]]|-1.94|0.57|
|[[:human_genes:C:CARD9|CARD9]]|-1.94|0.50|
|[[:human_genes:C:CPSF3L|CPSF3L]]|-1.93|0.51|
|[[:human_genes:H:HS3ST3A1|HS3ST3A1]]|-1.93|0.50|
|[[:human_genes:S:SUPT20HL2|SUPT20HL2]]|-1.92|0.50|
|[[:human_genes:U:UBE2A|UBE2A]]|-1.92|0.50|
|[[:human_genes:S:SGSM1|SGSM1]]|-1.92|0.51|
|[[:human_genes:H:HRG|HRG]]|-1.92|0.50|
|[[:human_genes:M:MSI2|MSI2]]|-1.91|0.50|
|[[:human_genes:W:WDR43|WDR43]]|2.11|0.52|
|[[:human_genes:M:MAP3K10|MAP3K10]]|2.13|0.16|
|[[:human_genes:M:MTA2|MTA2]]|2.13|0.16|
|[[:human_genes:S:SLC25A3|SLC25A3]]|2.14|0.16|
|[[:human_genes:C:CEPT1|CEPT1]]|2.16|0.16|
|[[:human_genes:T:TADA2A|TADA2A]]|2.17|0.16|
|[[:human_genes:R:RALGAPB|RALGAPB]]|2.17|0.16|
|[[:human_genes:D:DHX38|DHX38]]|2.18|0.41|
|[[:human_genes:F:FOXH1|FOXH1]]|2.18|0.16|
|[[:human_genes:C:C4BPA|C4BPA]]|2.19|0.16|
|[[:human_genes:S:SUPT6H|SUPT6H]]|2.19|0.41|
|[[:human_genes:P:PDHA1|PDHA1]]|2.20|0.16|
|[[:human_genes:N:NUP160|NUP160]]|2.23|0.48|
|[[:human_genes:L:LIG1|LIG1]]|2.32|0.65|
|[[:human_genes:C:CMYA5|CMYA5]]|2.37|0.19|
|[[:human_genes:D:DDX3X|DDX3X]]|2.37|0.10|
|[[:human_genes:P:PSME3|PSME3]]|2.39|0.10|
|[[:human_genes:P:PCDHGB4|PCDHGB4]]|2.44|0.12|
|[[:human_genes:G:GPT2|GPT2]]|2.45|0.10|
|[[:human_genes:S:STPG1|STPG1]]|2.46|0.12|
|[[:human_genes:R:RPL14|RPL14]]|2.46|0.22|
|[[:human_genes:U:UTP3|UTP3]]|2.52|0.16|
|[[:human_genes:A:AKAP7|AKAP7]]|2.63|0.05|
|[[:human_genes:M:MDH1|MDH1]]|2.67|0.04|
|[[:human_genes:D:DNM2|DNM2]]|2.68|0.38|
|[[:human_genes:N:NOP2|NOP2]]|2.69|0.10|
|[[:human_genes:A:ATP5L|ATP5L]]|2.71|0.10|
|[[:human_genes:A:AGK|AGK]]|2.74|0.04|
|[[:human_genes:B:BRMS1|BRMS1]]|2.90|0.04|
|[[:human_genes:R:RPS9|RPS9]]|2.93|0.24|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp248|UM0131023 0.05μM R05 exp248]]|0.084|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp274|Citral 50μM R06 exp274]]|0.085|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp13|Chloramphenicol 20μM R00 exp13]]|0.073|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp12|Chloramphenicol 2μM R00 exp12]]|0.054|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp220|BAY-598 4μM R05 exp220]]|0.053|<button type="primary" size="small" modal="5">View</button>|
</modal>


<modal id="1" size="lg" title="Deguelin 0.15μM R05 exp209  vs  UM0131023 0.05μM R05 exp248">
{{:chemogenomics:comparison_plots:exp209_vs_exp248.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Citral 50μM R06 exp274  vs  Deguelin 0.15μM R05 exp209">
{{:chemogenomics:comparison_plots:exp209_vs_exp274.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Chloramphenicol 20μM R00 exp13  vs  Deguelin 0.15μM R05 exp209">
{{:chemogenomics:comparison_plots:exp13_vs_exp209.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Chloramphenicol 2μM R00 exp12  vs  Deguelin 0.15μM R05 exp209">
{{:chemogenomics:comparison_plots:exp12_vs_exp209.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BAY-598 4μM R05 exp220  vs  Deguelin 0.15μM R05 exp209">
{{:chemogenomics:comparison_plots:exp209_vs_exp220.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>