====== Deguelin 0.05μM R02 exp69 ======
==== 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>** -2.5150; **<color #00a2e8>Max:</color>** 50.5961
{{:chemogenomics:dose_response:dr_9.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 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>**: 02
    * **<color #00a2e8>Dose</color>**: 50nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.3
    * **<color #00a2e8>Numbers of reads</color>**: 9193347


==== 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^
|0/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Deguelin_0.05uM_Round-2_exp69.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="default" 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 0.05μM R02 exp69'>
{{:chemogenomics:cranks_plots:exp69.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:E:EXTL1|EXTL1]]|-2.69|0.34|
|[[:human_genes:A:ANAPC13|ANAPC13]]|-2.39|0.34|
|[[:human_genes:S:SUCLG1|SUCLG1]]|-2.33|0.34|
|[[:human_genes:P:PDK3|PDK3]]|-2.32|0.50|
|[[:human_genes:C:C11orf44|C11orf44]]|-2.28|0.50|
|[[:human_genes:M:MICALCL|MICALCL]]|-2.17|0.59|
|[[:human_genes:S:SUPV3L1|SUPV3L1]]|-2.17|0.83|
|[[:human_genes:R:RUVBL1|RUVBL1]]|-2.17|0.84|
|[[:human_genes:G:GCLC|GCLC]]|-2.15|0.50|
|[[:human_genes:N:NHLRC2|NHLRC2]]|-2.11|0.83|
|[[:human_genes:G:GIMAP7|GIMAP7]]|-2.09|0.58|
|[[:human_genes:M:MRPL15|MRPL15]]|-2.08|0.83|
|[[:human_genes:N:NLRP14|NLRP14]]|-2.07|0.58|
|[[:human_genes:C:COL16A1|COL16A1]]|-2.03|0.59|
|[[:human_genes:D:DCTN5|DCTN5]]|-2.02|0.83|
|[[:human_genes:M:MYH13|MYH13]]|-2.02|0.83|
|[[:human_genes:C:C2orf88|C2orf88]]|-1.98|0.71|
|[[:human_genes:P:PER2|PER2]]|-1.95|0.83|
|[[:human_genes:U:UCMA|UCMA]]|-1.95|0.76|
|[[:human_genes:U:UBE2N|UBE2N]]|-1.91|0.83|
|[[:human_genes:W:WSCD2|WSCD2]]|-1.88|0.83|
|[[:human_genes:H:HIPK3|HIPK3]]|-1.88|0.83|
|[[:human_genes:J:JAKMIP3|JAKMIP3]]|-1.87|0.83|
|[[:human_genes:C:C12orf50|C12orf50]]|-1.85|0.83|
|[[:human_genes:N:NCAPD2|NCAPD2]]|-1.85|0.83|
|[[:human_genes:D:DVL3|DVL3]]|-1.85|0.83|
|[[:human_genes:T:TMPRSS11E|TMPRSS11E]]|-1.84|0.83|
|[[:human_genes:A:AGO3|AGO3]]|-1.83|0.83|
|[[:human_genes:W:WTH3DI|WTH3DI]]|-1.82|0.83|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-1.80|0.83|
|[[:human_genes:E:EXOSC1|EXOSC1]]|2.06|0.32|
|[[:human_genes:C:CHAD|CHAD]]|2.08|0.31|
|[[:human_genes:A:ATP5L|ATP5L]]|2.09|0.39|
|[[:human_genes:S:SLC27A4|SLC27A4]]|2.10|0.31|
|[[:human_genes:G:GPT2|GPT2]]|2.10|0.39|
|[[:human_genes:C:CENPH|CENPH]]|2.10|0.46|
|[[:human_genes:C:CDC73|CDC73]]|2.11|0.56|
|[[:human_genes:A:ADCK1|ADCK1]]|2.11|0.31|
|[[:human_genes:F:FBXW12|FBXW12]]|2.11|0.31|
|[[:human_genes:P:POLD2|POLD2]]|2.13|0.56|
|[[:human_genes:S:SH3GL1|SH3GL1]]|2.13|0.44|
|[[:human_genes:T:TONSL|TONSL]]|2.13|0.31|
|[[:human_genes:N:NR1D1|NR1D1]]|2.15|0.34|
|[[:human_genes:M:MDH1|MDH1]]|2.17|0.31|
|[[:human_genes:M:MARCH1|MARCH1]]|2.21|0.31|
|[[:human_genes:D:DLAT|DLAT]]|2.22|0.31|
|[[:human_genes:S:SLC1A5|SLC1A5]]|2.23|0.39|
|[[:human_genes:T:TNPO1|TNPO1]]|2.23|0.31|
|[[:human_genes:M:MS4A13|MS4A13]]|2.24|0.74|
|[[:human_genes:C:CCDC18|CCDC18]]|2.26|0.74|
|[[:human_genes:E:EXOSC3|EXOSC3]]|2.31|0.31|
|[[:human_genes:Z:ZNF681|ZNF681]]|2.33|0.42|
|[[:human_genes:R:RFC1|RFC1]]|2.34|0.73|
|[[:human_genes:R:RNF157|RNF157]]|2.35|0.31|
|[[:human_genes:P:PRIM1|PRIM1]]|2.35|0.73|
|[[:human_genes:P:PSMD14|PSMD14]]|2.37|0.56|
|[[:human_genes:K:KCNJ6|KCNJ6]]|2.47|0.22|
|[[:human_genes:A:ARGLU1|ARGLU1]]|2.48|0.25|
|[[:human_genes:C:CTNNBL1|CTNNBL1]]|2.49|0.22|
|[[:human_genes:P:PRPS1|PRPS1]]|2.70|0.25|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
No correlation data above threshold. (correlation > 0.05)
</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>