Centrinone 0.5μM R07 exp343 [The Human Chemical-Genetic Interaction Map Project]

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====== Centrinone 0.5μM R07 exp343 ======
==== Mechanism of Action ====
Inhibits PLK4, blocks centriole duplication, causes p53-dependent G1 arrest
  * **<color #00a2e8>Class / Subclass 1:</color>** Cell Cycle / Mitotic Inhibitor
  * **<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>** %%Centrinone%%
    * **<color #00a2e8>Synonyms:</color>** LCR-263
    * **<color #00a2e8>CAS #:</color>** 1798871-30-3
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/91801159|91801159]]
    * **<color #00a2e8>IUPAC:</color>** %%2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)
    * **<color #00a2e8>INCHI Key:</color>** HHJSKDRCUMVWKF-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 633.7
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=CC(=NN1)NC2=C(C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)CC4=C(C(=CC=C4)[N+](=O)[O-])F)F)N5CCOCC5)OC
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C26H25F2N7O6S2
{{:chemogenomics:structures:chem-0201.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** C256613
    * **<color #00a2e8>Lot #:</color>** 3-TAH-188-1
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C26H25F2N7O6S2 634.13486; found 634.13738
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Centrinone
    * **<color #00a2e8>Min:</color>** -2.6996; **<color #00a2e8>Max:</color>** 75.3586
{{:chemogenomics:dose_response:dr_462.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.1695    |
| IC30  |0.3033    |
| IC40  |0.5164    |
| IC50  |0.9040    |
| 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>**: 500nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 1.0
    * **<color #00a2e8>Numbers of reads</color>**: 25730812


==== 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^
|2/16|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Centrinone_0.5uM_Round-7_exp343.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='Centrinone 0.5μM R07 exp343'>
{{:chemogenomics:cranks_plots:exp343.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC5A3|SLC5A3]]|-3.11|<0.01|
|[[:human_genes:D:DLGAP5|DLGAP5]]|-2.87|0.02|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.56|0.11|
|[[:human_genes:G:G6PD|G6PD]]|-2.52|0.09|
|[[:human_genes:M:MGA|MGA]]|-2.50|0.09|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.46|0.11|
|[[:human_genes:D:DYRK1A|DYRK1A]]|-2.41|0.11|
|[[:human_genes:K:KIF18B|KIF18B]]|-2.39|0.11|
|[[:human_genes:K:KAT7|KAT7]]|-2.38|0.11|
|[[:human_genes:D:DDX3X|DDX3X]]|-2.37|0.11|
|[[:human_genes:P:PPP3R1|PPP3R1]]|-2.36|0.11|
|[[:human_genes:C:CEPT1|CEPT1]]|-2.30|0.11|
|[[:human_genes:P:PSMD4|PSMD4]]|-2.28|0.22|
|[[:human_genes:S:SART3|SART3]]|-2.26|0.51|
|[[:human_genes:R:RANBP1|RANBP1]]|-2.26|0.11|
|[[:human_genes:A:ANAPC15|ANAPC15]]|-2.26|0.15|
|[[:human_genes:D:DKC1|DKC1]]|-2.25|0.62|
|[[:human_genes:P:PDS5B|PDS5B]]|-2.25|0.11|
|[[:human_genes:S:SEPHS1|SEPHS1]]|-2.25|0.11|
|[[:human_genes:T:TINF2|TINF2]]|-2.24|0.16|
|[[:human_genes:Z:ZNF44|ZNF44]]|-2.22|0.13|
|[[:human_genes:D:DOT1L|DOT1L]]|-2.22|0.17|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.20|0.27|
|[[:human_genes:C:CHMP7|CHMP7]]|-2.19|0.14|
|[[:human_genes:T:TCF4|TCF4]]|-2.17|0.14|
|[[:human_genes:T:TOP1|TOP1]]|-2.17|0.14|
|[[:human_genes:C:CLN3|CLN3]]|-2.14|0.15|
|[[:human_genes:K:KIAA1432|KIAA1432]]|-2.14|0.15|
|[[:human_genes:K:KPNB1|KPNB1]]|-2.14|0.66|
|[[:human_genes:M:MTCH2|MTCH2]]|-2.14|0.22|
|[[:human_genes:M:MTNR1B|MTNR1B]]|2.19|0.09|
|[[:human_genes:T:TFDP1|TFDP1]]|2.20|0.13|
|[[:human_genes:A:APBA2|APBA2]]|2.21|0.09|
|[[:human_genes:B:BUB1B|BUB1B]]|2.26|0.11|
|[[:human_genes:T:TRIM37|TRIM37]]|2.27|0.07|
|[[:human_genes:I:ITK|ITK]]|2.28|0.07|
|[[:human_genes:P:PPP2R3C|PPP2R3C]]|2.29|0.07|
|[[:human_genes:R:RBM14-RBM4|RBM14-RBM4]]|2.31|0.14|
|[[:human_genes:G:GCLC|GCLC]]|2.32|0.06|
|[[:human_genes:R:RBM14|RBM14]]|2.32|0.13|
|[[:human_genes:T:TUBE1|TUBE1]]|2.34|0.06|
|[[:human_genes:P:PLAA|PLAA]]|2.35|0.06|
|[[:human_genes:C:CCDC41|CCDC41]]|2.36|0.08|
|[[:human_genes:P:PARP2|PARP2]]|2.40|0.07|
|[[:human_genes:S:STK38|STK38]]|2.41|0.04|
|[[:human_genes:T:TUBD1|TUBD1]]|2.48|0.03|
|[[:human_genes:M:MARCH5|MARCH5]]|2.57|0.02|
|[[:human_genes:A:APAF1|APAF1]]|2.57|0.02|
|[[:human_genes:D:DGKK|DGKK]]|2.65|0.01|
|[[:human_genes:F:FAF2|FAF2]]|2.87|0.01|
|[[:human_genes:A:ATMIN|ATMIN]]|2.90|<0.01|
|[[:human_genes:C:CDK2|CDK2]]|2.93|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|3.21|<0.01|
|[[:human_genes:P:PGP|PGP]]|3.25|<0.01|
|[[:human_genes:T:TP53|TP53]]|3.39|<0.01|
|[[:human_genes:T:TRIP13|TRIP13]]|3.49|<0.01|
|[[:human_genes:O:ODC1|ODC1]]|3.59|<0.01|
|[[:human_genes:M:MAD2L1|MAD2L1]]|3.89|<0.01|
|[[:human_genes:B:BUB3|BUB3]]|4.50|<0.01|
|[[:human_genes:M:MAD1L1|MAD1L1]]|4.61|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp349|Cytochalasin-B 5μM R07 exp349]]|0.072|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp374|Latrunculin-B 10μM R07 exp374]]|0.071|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.069|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.065|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp414|Tozasertib 0.1μM R07 exp414]]|0.063|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.063|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.062|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp363|GSK-J4 1-1.25μM to day4 R07 exp363]]|0.061|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp256|HMS-I1 10μM R06 exp256]]|0.059|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp19|Etoposide 1μM R00 exp19]]|0.058|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.058|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.058|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.058|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp93|DABN racemic mixture R03 exp93]]|0.054|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.053|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.052|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp17|DABN 20μM R00 exp17]]|0.052|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp294|Nutlin-3A 1.6μM R06 exp294]]|0.052|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp355|Dinaciclib 0.007μM R07 exp355]]|0.051|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp67|BVD-523 15μM R02 exp67]]|0.062|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.055|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp269|Bisphenol A 100μM R06 exp269]]|0.051|<button type="primary" size="small" modal="22">View</button>|
</modal>


<modal id="1" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Cytochalasin-B 5μM R07 exp349">
{{:chemogenomics:comparison_plots:exp343_vs_exp349.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Latrunculin-B 10μM R07 exp374">
{{:chemogenomics:comparison_plots:exp343_vs_exp374.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Centrinone 0.5μM R07 exp343  vs  GSK626616 14μM R08 exp485">
{{:chemogenomics:comparison_plots:exp343_vs_exp485.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Dorsomorphin 5μM R07 exp357">
{{:chemogenomics:comparison_plots:exp343_vs_exp357.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Tozasertib 0.1μM R07 exp414">
{{:chemogenomics:comparison_plots:exp343_vs_exp414.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Quercetin 20μM R08 exp517">
{{:chemogenomics:comparison_plots:exp343_vs_exp517.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Centrinone 0.5μM R07 exp343  vs  RO-3307 4.7μM R02 exp80">
{{:chemogenomics:comparison_plots:exp343_vs_exp80.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Centrinone 0.5μM R07 exp343  vs  GSK-J4 1-1.25μM to day4 R07 exp363">
{{:chemogenomics:comparison_plots:exp343_vs_exp363.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Centrinone 0.5μM R07 exp343  vs  HMS-I1 10μM R06 exp256">
{{:chemogenomics:comparison_plots:exp256_vs_exp343.png?nolink |}}
</modal>

<modal id="10" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Etoposide 1μM R00 exp19">
{{:chemogenomics:comparison_plots:exp19_vs_exp343.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Hippuristanol 0.12μM R08 exp488">
{{:chemogenomics:comparison_plots:exp343_vs_exp488.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Mitomycin-C 0.06μM R08 exp503">
{{:chemogenomics:comparison_plots:exp343_vs_exp503.png?nolink |}}
</modal>

<modal id="13" size="lg" title="Centrinone 0.5μM R07 exp343  vs  ∆-9-Tetrahydrocannabinol 30μM R08 exp445">
{{:chemogenomics:comparison_plots:exp343_vs_exp445.png?nolink |}}
</modal>

<modal id="14" size="lg" title="Centrinone 0.5μM R07 exp343  vs  DABN racemic mixture R03 exp93">
{{:chemogenomics:comparison_plots:exp343_vs_exp93.png?nolink |}}
</modal>

<modal id="15" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Doxorubicin 0.02μM R08 exp478">
{{:chemogenomics:comparison_plots:exp343_vs_exp478.png?nolink |}}
</modal>

<modal id="16" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Etoposide 0.3μM R05 exp199">
{{:chemogenomics:comparison_plots:exp199_vs_exp343.png?nolink |}}
</modal>

<modal id="17" size="lg" title="Centrinone 0.5μM R07 exp343  vs  DABN 20μM R00 exp17">
{{:chemogenomics:comparison_plots:exp17_vs_exp343.png?nolink |}}
</modal>

<modal id="18" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Nutlin-3A 1.6μM R06 exp294">
{{:chemogenomics:comparison_plots:exp294_vs_exp343.png?nolink |}}
</modal>

<modal id="19" size="lg" title="Centrinone 0.5μM R07 exp343  vs  Dinaciclib 0.007μM R07 exp355">
{{:chemogenomics:comparison_plots:exp343_vs_exp355.png?nolink |}}
</modal>

<modal id="20" size="lg" title="BVD-523 15μM R02 exp67  vs  Centrinone 0.5μM R07 exp343">
{{:chemogenomics:comparison_plots:exp343_vs_exp67.png?nolink |}}
</modal>

<modal id="21" size="lg" title="5-Fluorouracil 20μM R00 exp2  vs  Centrinone 0.5μM R07 exp343">
{{:chemogenomics:comparison_plots:exp2_vs_exp343.png?nolink |}}
</modal>

<modal id="22" size="lg" title="Bisphenol A 100μM R06 exp269  vs  Centrinone 0.5μM R07 exp343">
{{:chemogenomics:comparison_plots:exp269_vs_exp343.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|chromosome organization|13.46|DLGAP5,KIF18B,DDX3X,DKC1,PDS5B,TINF2,DOT1L,CHMP7,TOP1,KPNB1|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|mitotic spindle checkpoint signaling|127.53|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|mitotic spindle assembly checkpoint signaling|127.53|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|spindle assembly checkpoint signaling|122.81|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|negative regulation of mitotic sister chromatid separation|114.34|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|negative regulation of mitotic sister chromatid segregation|110.53|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|negative regulation of chromosome segregation|106.96|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|negative regulation of metaphase/anaphase transition of cell cycle|106.96|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|negative regulation of chromosome separation|106.96|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|spindle checkpoint signaling|102.34|MAD1L1,BUB3,TRIP13,BUB1B,SPC25|
|negative regulation of sister chromatid segregation|95.28|MAD1L1,BUB3,TRIP13,BUB1B,SPC25|
|negative regulation of nuclear division|75.36|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|regulation of mitotic sister chromatid segregation|65.02|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|regulation of mitotic sister chromatid separation|59.21|MAD1L1,BUB3,MAD2L1,TRIP13,BUB1B,SPC25|
|mitotic cell cycle checkpoint signaling|36.84|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,CDK2,BUB1B,SPC25|
|cell cycle checkpoint signaling|28.71|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,CDK2,BUB1B,SPC25|
|negative regulation of mitotic cell cycle phase transition|27.81|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,CDK2,BUB1B,SPC25|
|negative regulation of cell cycle process|21.26|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,CDK2,RBM14,TRIM37,BUB1B,SPC25|
|negative regulation of organelle organization|18.88|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,BAK1,RBM14,GCLC,TRIM37,BUB1B,SPC25|
|negative regulation of cell cycle|16.21|MAD1L1,BUB3,MAD2L1,TRIP13,TP53,CDK2,RBM14,TRIM37,BUB1B,SPC25|
</modal>