BI-6727 0.0125μM R03 exp97 [The Human Chemical-Genetic Interaction Map Project]

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====== BI-6727 0.0125μM R03 exp97 ======
==== Mechanism of Action ====
Inhibits PLK1 kinase, causes G2/M arrest, improved version of BI-2536
  * **<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>** %%Volasertib%%
    * **<color #00a2e8>Synonyms:</color>** BI 6727
    * **<color #00a2e8>CAS #:</color>** 755038-65-4
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/10461508|10461508]]
    * **<color #00a2e8>IUPAC:</color>** %%N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25?,26?,28-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** SXNJFOWDRLKDSF-XKHVUIRMSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 618.8
    * **<color #00a2e8>Canonical SMILES:</color>** CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C
    * **<color #00a2e8>Isomeric SMILES:</color>** CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)OC)C
    * **<color #00a2e8>Molecular Formula:</color>** C34H50N8O3
{{:chemogenomics:structures:chem-0023.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-12137
    * **<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 C34H50N8O3 619.40786; found 619.4097
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** BI6727
    * **<color #00a2e8>Min:</color>** -7.8407; **<color #00a2e8>Max:</color>** 99.1028
{{:chemogenomics:dose_response:dr_75.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0061    |
| IC30  |0.0129    |
| IC40  |0.0238    |
| IC50  |0.0420    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 03
    * **<color #00a2e8>Dose</color>**: 12.5nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.1
    * **<color #00a2e8>Numbers of reads</color>**: 13520562


==== 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^
|26/24|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BI-6727_0.0125uM_Round-3_exp97.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='BI-6727 0.0125μM R03 exp97'>
{{:chemogenomics:cranks_plots:exp97.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:K:KIF18A|KIF18A]]|-4.60|<0.01|
|[[:human_genes:S:STMN1|STMN1]]|-4.40|<0.01|
|[[:human_genes:A:ACTR1A|ACTR1A]]|-4.25|<0.01|
|[[:human_genes:S:SKA1|SKA1]]|-3.63|<0.01|
|[[:human_genes:D:DPH1|DPH1]]|-3.29|<0.01|
|[[:human_genes:C:CENPW|CENPW]]|-3.13|<0.01|
|[[:human_genes:P:PRR14L|PRR14L]]|-3.12|<0.01|
|[[:human_genes:K:KIF15|KIF15]]|-3.09|<0.01|
|[[:human_genes:E:EIF4E2|EIF4E2]]|-3.00|<0.01|
|[[:human_genes:P:PDS5B|PDS5B]]|-3.00|<0.01|
|[[:human_genes:D:DLGAP5|DLGAP5]]|-2.98|<0.01|
|[[:human_genes:D:DDX23|DDX23]]|-2.93|0.14|
|[[:human_genes:C:CENPL|CENPL]]|-2.93|<0.01|
|[[:human_genes:D:DYNLT1|DYNLT1]]|-2.87|<0.01|
|[[:human_genes:V:VBP1|VBP1]]|-2.85|<0.01|
|[[:human_genes:P:PPP2R5C|PPP2R5C]]|-2.79|<0.01|
|[[:human_genes:N:N6AMT1|N6AMT1]]|-2.74|0.06|
|[[:human_genes:P:PDCD5|PDCD5]]|-2.73|<0.01|
|[[:human_genes:Y:YLPM1|YLPM1]]|-2.72|0.03|
|[[:human_genes:F:FBXO42|FBXO42]]|-2.64|<0.01|
|[[:human_genes:C:CDIPT|CDIPT]]|-2.63|0.25|
|[[:human_genes:G:GPX4|GPX4]]|-2.60|0.01|
|[[:human_genes:L:LCMT1|LCMT1]]|-2.58|0.01|
|[[:human_genes:B:BUB1|BUB1]]|-2.46|0.02|
|[[:human_genes:T:TSC2|TSC2]]|-2.45|0.05|
|[[:human_genes:M:MAPRE1|MAPRE1]]|-2.43|0.03|
|[[:human_genes:C:CENPQ|CENPQ]]|-2.42|0.03|
|[[:human_genes:C:CDC42|CDC42]]|-2.38|0.06|
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|-2.38|0.44|
|[[:human_genes:U:UBE2C|UBE2C]]|-2.37|0.06|
|[[:human_genes:M:ME1|ME1]]|2.29|0.08|
|[[:human_genes:R:RCE1|RCE1]]|2.30|0.08|
|[[:human_genes:M:MSL2|MSL2]]|2.33|0.04|
|[[:human_genes:H:HMGXB3|HMGXB3]]|2.33|0.07|
|[[:human_genes:Y:YWHAE|YWHAE]]|2.34|0.04|
|[[:human_genes:N:NBPF14|NBPF14]]|2.34|0.07|
|[[:human_genes:M:MTIF2|MTIF2]]|2.34|0.04|
|[[:human_genes:S:SRM|SRM]]|2.39|0.04|
|[[:human_genes:O:ODC1|ODC1]]|2.45|0.03|
|[[:human_genes:B:BAZ1B|BAZ1B]]|2.52|0.07|
|[[:human_genes:H:HEXIM1|HEXIM1]]|2.54|0.02|
|[[:human_genes:P:PDSS1|PDSS1]]|2.65|0.04|
|[[:human_genes:M:MPLKIP|MPLKIP]]|2.72|<0.01|
|[[:human_genes:U:UBA6|UBA6]]|2.78|<0.01|
|[[:human_genes:K:KIDINS220|KIDINS220]]|2.78|<0.01|
|[[:human_genes:P:PRKAR1A|PRKAR1A]]|2.80|<0.01|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.82|<0.01|
|[[:human_genes:P:PREPL|PREPL]]|2.84|<0.01|
|[[:human_genes:R:RPL30|RPL30]]|2.85|0.13|
|[[:human_genes:M:MAD1L1|MAD1L1]]|2.87|<0.01|
|[[:human_genes:A:ATXN7L3|ATXN7L3]]|2.98|<0.01|
|[[:human_genes:K:KCMF1|KCMF1]]|3.05|<0.01|
|[[:human_genes:T:TIMM8A|TIMM8A]]|3.10|<0.01|
|[[:human_genes:S:SLC39A10|SLC39A10]]|3.16|<0.01|
|[[:human_genes:Z:ZRANB2|ZRANB2]]|3.28|<0.01|
|[[:human_genes:B:BUB1B|BUB1B]]|3.54|<0.01|
|[[:human_genes:C:CCNF|CCNF]]|3.61|<0.01|
|[[:human_genes:C:CHD2|CHD2]]|3.73|<0.01|
|[[:human_genes:X:XPR1|XPR1]]|3.85|<0.01|
|[[:human_genes:P:PPM1G|PPM1G]]|4.04|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp125|GSK461364A 0.005μM R03 exp125]]|0.119|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.071|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp215|Colchicine 0.009μM R05 exp215]]|0.061|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.061|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.06|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp228|Demecolcine 0.03μM R05 exp228]]|0.058|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp179|Combretastatin A4 0.002 to 0.003μM day4 R04 exp179]]|0.056|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp95|BI-2536 0.0042μM R03 exp95]]|0.248|<button type="primary" size="small" modal="8">View</button>|
</modal>


<modal id="1" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  GSK461364A 0.005μM R03 exp125">
{{:chemogenomics:comparison_plots:exp125_vs_exp97.png?nolink |}}
</modal>

<modal id="2" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  BML-284 0.09μM R08 exp460">
{{:chemogenomics:comparison_plots:exp460_vs_exp97.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  Colchicine 0.009μM R05 exp215">
{{:chemogenomics:comparison_plots:exp215_vs_exp97.png?nolink |}}
</modal>

<modal id="4" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  Mdivi-1 15μM R05 exp217">
{{:chemogenomics:comparison_plots:exp217_vs_exp97.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  Vincristine 0.0005μM R04 exp190">
{{:chemogenomics:comparison_plots:exp190_vs_exp97.png?nolink |}}
</modal>

<modal id="6" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  Demecolcine 0.03μM R05 exp228">
{{:chemogenomics:comparison_plots:exp228_vs_exp97.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BI-6727 0.0125μM R03 exp97  vs  Combretastatin A4 0.002 to 0.003μM day4 R04 exp179">
{{:chemogenomics:comparison_plots:exp179_vs_exp97.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BI-2536 0.0042μM R03 exp95  vs  BI-6727 0.0125μM R03 exp97">
{{:chemogenomics:comparison_plots:exp95_vs_exp97.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|inner kinetochore|104.49|CENPW,CENPL,CENPQ|
|spindle midzone|50.75|KIF18A,MAPRE1,CDC42|
|chromosome localization|24.93|KIF18A,DLGAP5,MAPRE1,CENPQ|
|kinetochore|21.66|KIF18A,SKA1,CENPW,CENPL,BUB1,CENPQ|
|condensed chromosome, centromeric region|20.30|KIF18A,SKA1,CENPW,CENPL,BUB1,CENPQ|
|regulation of mitotic nuclear division|20.24|DLGAP5,LCMT1,BUB1,CDC42|
|chromosome, centromeric region|20.07|KIF18A,SKA1,CENPW,PDS5B,CENPL,PPP2R5C,BUB1,CENPQ|
|mitotic spindle|16.63|KIF18A,SKA1,DLGAP5,MAPRE1,CDC42|
|chromosome segregation|14.44|KIF18A,SKA1,CENPW,DLGAP5,CENPL,BUB1,MAPRE1,CENPQ|
|condensed chromosome|13.06|KIF18A,SKA1,CENPW,CENPL,BUB1,CENPQ|
|tubulin binding|12.94|KIF18A,STMN1,SKA1,KIF15,DLGAP5,VBP1,PDCD5,MAPRE1|
|chromosomal region|12.67|KIF18A,SKA1,CENPW,PDS5B,CENPL,PPP2R5C,BUB1,CENPQ|
|spindle|9.99|KIF18A,SKA1,KIF15,DLGAP5,DYNLT1,MAPRE1,CDC42|
|mitotic cell cycle|9.85|KIF18A,STMN1,SKA1,CENPW,KIF15,DLGAP5,DYNLT1,LCMT1,BUB1,MAPRE1|
|cell division|8.19|STMN1,SKA1,CENPW,PDS5B,DYNLT1,BUB1,MAPRE1|
|cell cycle process|8.14|KIF18A,STMN1,SKA1,CENPW,PDS5B,DLGAP5,CENPL,DYNLT1,LCMT1,BUB1,MAPRE1,CENPQ|
|mitotic cell cycle process|8.02|KIF18A,STMN1,DLGAP5,DYNLT1,LCMT1,BUB1,MAPRE1|
|microtubule-based process|6.07|KIF18A,STMN1,KIF15,DLGAP5,DYNLT1,VBP1,MAPRE1,CDC42|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>