Tubacin 1.6μM R07 exp416 [The Human Chemical-Genetic Interaction Map Project]

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====== Tubacin 1.6μM R07 exp416 ======
==== Mechanism of Action ====
Inhibits HDAC6 selectively
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Tubacin%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 537049-40-4
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/6675804|6675804]]
    * **<color #00a2e8>IUPAC:</color>** %%N-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** BHUZLJOUHMBZQY-YXQOSMAKSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 721.9
    * **<color #00a2e8>Canonical SMILES:</color>** C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
    * **<color #00a2e8>Isomeric SMILES:</color>** C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
    * **<color #00a2e8>Molecular Formula:</color>** C41H43N3O7S
{{:chemogenomics:structures:chem-0249.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-13428
    * **<color #00a2e8>Lot #:</color>** 24226
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C41H43N3O7S 722.28945; found 722.29004
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Tubacin
    * **<color #00a2e8>Min:</color>** -14.5129; **<color #00a2e8>Max:</color>** 98.9010
{{:chemogenomics:dose_response:dr_410.png?nolink&500 |}}
\\ 
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |1.2421    |
| IC30  |1.4401    |
| IC40  |1.6505    |
| IC50  |1.8880    |
| 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>**: 1.6µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 2.2
    * **<color #00a2e8>Numbers of reads</color>**: 22041208


==== 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^
|71/71|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Tubacin_1.6uM_Round-7_exp416.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='Tubacin 1.6μM R07 exp416'>
{{:chemogenomics:cranks_plots:exp416.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:A:ACSL3|ACSL3]]|-4.54|0.00|
|[[:human_genes:C:CYB561D2|CYB561D2]]|-4.34|0.00|
|[[:human_genes:R:RER1|RER1]]|-4.16|0.00|
|[[:human_genes:P:PSMB8|PSMB8]]|-4.01|0.00|
|[[:human_genes:G:GPR107|GPR107]]|-3.80|0.00|
|[[:human_genes:P:PSMB5|PSMB5]]|-3.58|0.00|
|[[:human_genes:N:NPRL3|NPRL3]]|-3.56|0.00|
|[[:human_genes:D:DDI2|DDI2]]|-3.55|0.00|
|[[:human_genes:K:KDSR|KDSR]]|-3.47|0.00|
|[[:human_genes:G:GCLM|GCLM]]|-3.38|0.00|
|[[:human_genes:N:NADK|NADK]]|-3.24|0.00|
|[[:human_genes:Y:YBX1|YBX1]]|-3.14|0.00|
|[[:human_genes:C:CNOT2|CNOT2]]|-3.04|<0.01|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.97|<0.01|
|[[:human_genes:S:SPR|SPR]]|-2.95|<0.01|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-2.90|<0.01|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.88|0.02|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.85|<0.01|
|[[:human_genes:S:SLC39A10|SLC39A10]]|-2.81|<0.01|
|[[:human_genes:N:NGLY1|NGLY1]]|-2.80|<0.01|
|[[:human_genes:P:PBRM1|PBRM1]]|-2.76|<0.01|
|[[:human_genes:P:PSENEN|PSENEN]]|-2.73|<0.01|
|[[:human_genes:P:PRKAA1|PRKAA1]]|-2.72|<0.01|
|[[:human_genes:T:TMEM189|TMEM189]]|-2.71|<0.01|
|[[:human_genes:M:MGA|MGA]]|-2.71|<0.01|
|[[:human_genes:A:AGPAT1|AGPAT1]]|-2.69|0.02|
|[[:human_genes:A:ARFRP1|ARFRP1]]|-2.68|<0.01|
|[[:human_genes:C:CEPT1|CEPT1]]|-2.68|<0.01|
|[[:human_genes:N:NCOR1|NCOR1]]|-2.67|<0.01|
|[[:human_genes:A:ALG9|ALG9]]|-2.60|<0.01|
|[[:human_genes:Q:QKI|QKI]]|2.92|<0.01|
|[[:human_genes:L:LZTR1|LZTR1]]|2.96|0.00|
|[[:human_genes:K:KCTD5|KCTD5]]|3.00|0.00|
|[[:human_genes:A:ALAD|ALAD]]|3.02|<0.01|
|[[:human_genes:F:FADS2|FADS2]]|3.09|<0.01|
|[[:human_genes:C:CELF2|CELF2]]|3.10|0.00|
|[[:human_genes:C:C19orf43|C19orf43]]|3.15|0.00|
|[[:human_genes:E:EIF3K|EIF3K]]|3.19|0.00|
|[[:human_genes:A:ALAS1|ALAS1]]|3.21|<0.01|
|[[:human_genes:P:PIH1D1|PIH1D1]]|3.32|0.00|
|[[:human_genes:T:TMEM208|TMEM208]]|3.36|0.00|
|[[:human_genes:O:ODC1|ODC1]]|3.36|0.00|
|[[:human_genes:S:SEC31A|SEC31A]]|3.41|0.00|
|[[:human_genes:C:CHD1|CHD1]]|3.43|0.00|
|[[:human_genes:M:MBTPS2|MBTPS2]]|3.55|0.00|
|[[:human_genes:M:MTF1|MTF1]]|3.63|0.00|
|[[:human_genes:S:SPI1|SPI1]]|3.80|0.00|
|[[:human_genes:E:EIF4A1|EIF4A1]]|3.86|0.00|
|[[:human_genes:G:GLRX5|GLRX5]]|3.89|0.00|
|[[:human_genes:R:RXRB|RXRB]]|3.98|0.00|
|[[:human_genes:D:DEGS1|DEGS1]]|4.00|0.00|
|[[:human_genes:H:HMBS|HMBS]]|4.05|0.00|
|[[:human_genes:A:ABCG1|ABCG1]]|4.11|0.00|
|[[:human_genes:I:IKZF1|IKZF1]]|4.12|0.00|
|[[:human_genes:U:UCHL5|UCHL5]]|4.32|0.00|
|[[:human_genes:T:TFPT|TFPT]]|4.55|0.00|
|[[:human_genes:C:C12orf49|C12orf49]]|5.68|0.00|
|[[:human_genes:N:NFRKB|NFRKB]]|5.71|0.00|
|[[:human_genes:R:RPRD1B|RPRD1B]]|5.99|0.00|
|[[:human_genes:F:FADS1|FADS1]]|6.36|0.00|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.149|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp434|Vemurafenib 6.6μM R08 exp434]]|0.077|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp89|Vemurafenib 6.6μM R02 exp89]]|0.074|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp180|Dynasore 10μM R04 exp180]]|0.107|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.084|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp436|Dynasore 7μM R08 exp436]]|0.083|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp360|Genistein 15μM R07 exp360]]|0.078|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp356|Docosahexaenoic-acid 50μM R07 exp356]]|0.077|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.077|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.076|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.069|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp169|BH1 1μM R04 exp169]]|0.066|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp35|TRAIL 5ng/ml R00 exp35]]|0.062|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.062|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.062|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.062|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.062|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp6|Bortezomib 0.005μM R00 exp6]]|0.058|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp407|Thapsigargin 0.005μM R07 exp407]]|0.057|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp454|Bafilomycin-A1 0.009μM R08 exp454]]|0.055|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.055|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp36|TRAIL 50ng/ml R00 exp36]]|0.054|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp25|Oligomycin-A 2μM R00 exp25]]|0.054|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp497|Lead acetate 2000μM R08 exp497]]|0.053|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.051|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.051|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.051|<button type="primary" size="small" modal="27">View</button>|
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.051|<button type="primary" size="small" modal="28">View</button>|
|[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.051|<button type="primary" size="small" modal="29">View</button>|
|[[:results:exp365|I-BRD9 4μM R07 exp365]]|0.051|<button type="primary" size="small" modal="30">View</button>|
</modal>


<modal id="1" size="lg" title="Tubacin 1.6μM R07 exp416  vs  UM0125461 0.74μM R02 exp84">
{{:chemogenomics:comparison_plots:exp416_vs_exp84.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Tubacin 1.6μM R07 exp416  vs  Vemurafenib 6.6μM R08 exp434">
{{:chemogenomics:comparison_plots:exp416_vs_exp434.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Tubacin 1.6μM R07 exp416  vs  Vemurafenib 6.6μM R02 exp89">
{{:chemogenomics:comparison_plots:exp416_vs_exp89.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Dynasore 10μM R04 exp180  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp180_vs_exp416.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Artemisinin 50μM R08 exp450  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp450.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Dynasore 7μM R08 exp436  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp436.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Genistein 15μM R07 exp360  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp360_vs_exp416.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Docosahexaenoic-acid 50μM R07 exp356  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp356_vs_exp416.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Hydroxyurea 100μM R07 exp329  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp329_vs_exp416.png?nolink |}}
</modal>

<modal id="10" size="lg" title="Thimerosal 0.85μM R08 exp529  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp529.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Quercetin 20μM R08 exp517  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp517.png?nolink |}}
</modal>

<modal id="12" size="lg" title="BH1 1μM R04 exp169  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp169_vs_exp416.png?nolink |}}
</modal>

<modal id="13" size="lg" title="TRAIL 5ng/ml R00 exp35  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp35_vs_exp416.png?nolink |}}
</modal>

<modal id="14" size="lg" title="Q15 1 to 2μM on day4 R04 exp164  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp164_vs_exp416.png?nolink |}}
</modal>

<modal id="15" size="lg" title="BS-181 20μM R08 exp461  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp461.png?nolink |}}
</modal>

<modal id="16" size="lg" title="CB-5083 0.4μM R08 exp468  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp468.png?nolink |}}
</modal>

<modal id="17" size="lg" title="Cryptotanshinone 12μM R05 exp227  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp227_vs_exp416.png?nolink |}}
</modal>

<modal id="18" size="lg" title="Bortezomib 0.005μM R00 exp6  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp6.png?nolink |}}
</modal>

<modal id="19" size="lg" title="Thapsigargin 0.005μM R07 exp407  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp407_vs_exp416.png?nolink |}}
</modal>

<modal id="20" size="lg" title="Bafilomycin-A1 0.009μM R08 exp454  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp454.png?nolink |}}
</modal>

<modal id="21" size="lg" title="GSK626616 14μM R08 exp485  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp485.png?nolink |}}
</modal>

<modal id="22" size="lg" title="TRAIL 50ng/ml R00 exp36  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp36_vs_exp416.png?nolink |}}
</modal>

<modal id="23" size="lg" title="Oligomycin-A 2μM R00 exp25  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp25_vs_exp416.png?nolink |}}
</modal>

<modal id="24" size="lg" title="Lead acetate 2000μM R08 exp497  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp497.png?nolink |}}
</modal>

<modal id="25" size="lg" title="∆-9-Tetrahydrocannabinol 30μM R08 exp445  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp445.png?nolink |}}
</modal>

<modal id="26" size="lg" title="PU-H71 1μM R08 exp515  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp515.png?nolink |}}
</modal>

<modal id="27" size="lg" title="Cannabidiol 20μM R08 exp466  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp466.png?nolink |}}
</modal>

<modal id="28" size="lg" title="Hippuristanol 0.12μM R08 exp489 no dilution day6  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp489.png?nolink |}}
</modal>

<modal id="29" size="lg" title="Clomiphene 4.4μM R02 exp68  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp68.png?nolink |}}
</modal>

<modal id="30" size="lg" title="I-BRD9 4μM R07 exp365  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp365_vs_exp416.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|GATOR1 complex|592.11|NPRL3,NPRL2|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|acyl-CoA desaturase activity|368.42|FADS1,FADS2|
|protoporphyrinogen IX metabolic process|221.05|HMBS,ALAS1,ALAD,FECH|
|protoporphyrinogen IX biosynthetic process|207.24|HMBS,ALAS1,ALAD|
|Ino80 complex|127.53|NFRKB,TFPT,UCHL5|
|positive regulation of telomere maintenance in response to DNA damage|127.53|NFRKB,TFPT,UCHL5|
|regulation of DNA strand elongation|110.53|NFRKB,TFPT,UCHL5|
|regulation of telomere maintenance in response to DNA damage|97.52|NFRKB,TFPT,UCHL5|
|heme biosynthetic process|88.42|HMBS,ALAS1,ALAD,FECH|
|porphyrin-containing compound biosynthetic process|78.95|HMBS,ALAS1,ALAD,FECH|
|tetrapyrrole biosynthetic process|78.95|HMBS,ALAS1,ALAD,FECH|
|INO80-type complex|69.08|NFRKB,TFPT,UCHL5|
|heme metabolic process|56.68|HMBS,ALAS1,ALAD,FECH|
|pigment biosynthetic process|53.92|HMBS,ALAS1,ALAD,FECH|
|porphyrin-containing compound metabolic process|48.06|HMBS,ALAS1,ALAD,FECH|
|unsaturated fatty acid biosynthetic process|44.81|FADS1,DEGS1,FADS2|
|tetrapyrrole metabolic process|40.94|HMBS,ALAS1,ALAD,FECH|
|pigment metabolic process|34.54|HMBS,ALAS1,ALAD,FECH|
|erythrocyte differentiation|23.52|IKZF1,SPI1,ALAS1,FECH|
|erythrocyte homeostasis|21.46|IKZF1,SPI1,ALAS1,FECH|
</modal>