BI-6727 0.04μM R03 exp98 [The Human Chemical-Genetic Interaction Map Project]

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.
====== BI-6727 0.04μM R03 exp98 ======
==== 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 |}}
\\ 
\\ 
\\ 
\\ 
|< 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>**: 40nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: -0.1
    * **<color #00a2e8>Numbers of reads</color>**: 12755317


==== 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^
|0/38|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BI-6727_0.04uM_Round-3_exp98.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="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='BI-6727 0.04μM R03 exp98'>
{{:chemogenomics:cranks_plots:exp98.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PDCD11|PDCD11]]|-2.68|0.39|
|[[:human_genes:M:MAT2A|MAT2A]]|-2.60|0.48|
|[[:human_genes:S:SLC30A1|SLC30A1]]|-2.58|0.25|
|[[:human_genes:W:WAPAL|WAPAL]]|-2.58|0.37|
|[[:human_genes:C:CCNA2|CCNA2]]|-2.58|0.37|
|[[:human_genes:P:PLK4|PLK4]]|-2.56|0.49|
|[[:human_genes:N:NMT1|NMT1]]|-2.44|0.37|
|[[:human_genes:M:MTCH2|MTCH2]]|-2.44|0.39|
|[[:human_genes:Y:YY1|YY1]]|-2.36|0.39|
|[[:human_genes:V:VPS28|VPS28]]|-2.31|0.39|
|[[:human_genes:P:PRPF18|PRPF18]]|-2.30|0.58|
|[[:human_genes:A:ANP32A|ANP32A]]|-2.26|0.39|
|[[:human_genes:Z:ZNF91|ZNF91]]|-2.23|0.39|
|[[:human_genes:R:RPSA|RPSA]]|-2.21|0.62|
|[[:human_genes:D:DDX47|DDX47]]|-2.20|0.59|
|[[:human_genes:A:ARCN1|ARCN1]]|-2.17|0.58|
|[[:human_genes:S:SEC13|SEC13]]|-2.13|0.58|
|[[:human_genes:Z:ZNF771|ZNF771]]|-2.13|0.55|
|[[:human_genes:N:NFS1|NFS1]]|-2.11|0.61|
|[[:human_genes:S:SMG1|SMG1]]|-2.10|0.39|
|[[:human_genes:G:GOLGA8H|GOLGA8H]]|-2.10|0.61|
|[[:human_genes:T:TF|TF]]|-2.09|0.39|
|[[:human_genes:W:WDR61|WDR61]]|-2.08|0.58|
|[[:human_genes:C:CMC2|CMC2]]|-2.07|0.62|
|[[:human_genes:P:PAF1|PAF1]]|-2.06|0.58|
|[[:human_genes:N:NUP153|NUP153]]|-2.05|0.39|
|[[:human_genes:T:TKTL1|TKTL1]]|-2.05|0.49|
|[[:human_genes:H:H2AFY|H2AFY]]|-2.04|0.39|
|[[:human_genes:P:PDS5B|PDS5B]]|-2.04|0.39|
|[[:human_genes:S:SNRNP70|SNRNP70]]|-2.03|0.52|
|[[:human_genes:A:ATP5O|ATP5O]]|2.53|0.01|
|[[:human_genes:T:TFAP4|TFAP4]]|2.57|0.01|
|[[:human_genes:R:RBAK|RBAK]]|2.58|0.01|
|[[:human_genes:W:WDR82|WDR82]]|2.61|0.07|
|[[:human_genes:C:CDCA7L|CDCA7L]]|2.65|<0.01|
|[[:human_genes:Z:ZDHHC4|ZDHHC4]]|2.66|<0.01|
|[[:human_genes:T:TADA1|TADA1]]|2.68|0.01|
|[[:human_genes:F:FSCN1|FSCN1]]|2.69|<0.01|
|[[:human_genes:R:RNMT|RNMT]]|2.72|0.01|
|[[:human_genes:G:GRIFIN|GRIFIN]]|2.72|0.15|
|[[:human_genes:A:ATP2B1|ATP2B1]]|2.75|0.02|
|[[:human_genes:A:AQP1|AQP1]]|2.77|<0.01|
|[[:human_genes:P:POLR3B|POLR3B]]|2.80|<0.01|
|[[:human_genes:A:ATF7IP|ATF7IP]]|2.83|<0.01|
|[[:human_genes:C:CHST12|CHST12]]|2.85|<0.01|
|[[:human_genes:P:PRAMEF26|PRAMEF26]]|2.98|0.17|
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|2.98|0.17|
|[[:human_genes:P:PELO|PELO]]|3.00|<0.01|
|[[:human_genes:T:TRMT10A|TRMT10A]]|3.09|<0.01|
|[[:human_genes:A:AMZ1|AMZ1]]|3.18|<0.01|
|[[:human_genes:R:RPTOR|RPTOR]]|3.21|<0.01|
|[[:human_genes:P:PYROXD1|PYROXD1]]|3.33|0.04|
|[[:human_genes:T:THG1L|THG1L]]|3.36|<0.01|
|[[:human_genes:M:MED16|MED16]]|3.62|<0.01|
|[[:human_genes:R:RBM14-RBM4|RBM14-RBM4]]|4.76|<0.01|
|[[:human_genes:R:RBM14|RBM14]]|4.98|<0.01|
|[[:human_genes:B:BUB1B|BUB1B]]|5.02|<0.01|
|[[:human_genes:M:MAD2L1|MAD2L1]]|5.24|<0.01|
|[[:human_genes:M:MAD1L1|MAD1L1]]|5.35|<0.01|
|[[:human_genes:B:BUB3|BUB3]]|5.75|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp126|GSK461364A 0.1μM R03 exp126]]|0.157|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp93|DABN racemic mixture R03 exp93]]|0.145|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp108|Vinblastine 0.2μM R03 exp108]]|0.128|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp111|R-DABN 8μM R03 exp111]]|0.121|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp94|Nocodazole 0.1μM R03 exp94]]|0.118|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp64|Nocodazole 0.2μM R02 exp64]]|0.1|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp33|Rotenone 2μM R00 exp33]]|0.092|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp244|SB743921 0.001μM R05 exp244]]|0.091|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp256|HMS-I1 10μM R06 exp256]]|0.089|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp24|Nocodazole 0.2μM R00 exp24]]|0.085|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp208|Vinblastine 0.015μM R05 exp208]]|0.075|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp22|MLN-4924 2μM R00 exp22]]|0.068|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.067|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp17|DABN 20μM R00 exp17]]|0.066|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.065|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.062|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp487|Hinokiflavone 12μM R08 exp487]]|0.062|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.061|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.058|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.056|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.053|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp135|MS023 7μM R03 exp135]]|0.051|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp96|BI-2536 0.02μM R03 exp96]]|0.2|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp448|Ammonium tetrathiomolybdate 10μM R08 exp448]]|0.056|<button type="primary" size="small" modal="24">View</button>|
</modal>


<modal id="1" size="lg" title="BI-6727 0.04μM R03 exp98  vs  GSK461364A 0.1μM R03 exp126">
{{:chemogenomics:comparison_plots:exp126_vs_exp98.png?nolink |}}
</modal>

<modal id="2" size="lg" title="BI-6727 0.04μM R03 exp98  vs  DABN racemic mixture R03 exp93">
{{:chemogenomics:comparison_plots:exp93_vs_exp98.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Vinblastine 0.2μM R03 exp108">
{{:chemogenomics:comparison_plots:exp108_vs_exp98.png?nolink |}}
</modal>

<modal id="4" size="lg" title="BI-6727 0.04μM R03 exp98  vs  R-DABN 8μM R03 exp111">
{{:chemogenomics:comparison_plots:exp111_vs_exp98.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Nocodazole 0.1μM R03 exp94">
{{:chemogenomics:comparison_plots:exp94_vs_exp98.png?nolink |}}
</modal>

<modal id="6" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Nocodazole 0.2μM R02 exp64">
{{:chemogenomics:comparison_plots:exp64_vs_exp98.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Rotenone 2μM R00 exp33">
{{:chemogenomics:comparison_plots:exp33_vs_exp98.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BI-6727 0.04μM R03 exp98  vs  SB743921 0.001μM R05 exp244">
{{:chemogenomics:comparison_plots:exp244_vs_exp98.png?nolink |}}
</modal>

<modal id="9" size="lg" title="BI-6727 0.04μM R03 exp98  vs  HMS-I1 10μM R06 exp256">
{{:chemogenomics:comparison_plots:exp256_vs_exp98.png?nolink |}}
</modal>

<modal id="10" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Nocodazole 0.2μM R00 exp24">
{{:chemogenomics:comparison_plots:exp24_vs_exp98.png?nolink |}}
</modal>

<modal id="11" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Vinblastine 0.015μM R05 exp208">
{{:chemogenomics:comparison_plots:exp208_vs_exp98.png?nolink |}}
</modal>

<modal id="12" size="lg" title="BI-6727 0.04μM R03 exp98  vs  MLN-4924 2μM R00 exp22">
{{:chemogenomics:comparison_plots:exp22_vs_exp98.png?nolink |}}
</modal>

<modal id="13" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Mitomycin-C 0.06μM R08 exp503">
{{:chemogenomics:comparison_plots:exp503_vs_exp98.png?nolink |}}
</modal>

<modal id="14" size="lg" title="BI-6727 0.04μM R03 exp98  vs  DABN 20μM R00 exp17">
{{:chemogenomics:comparison_plots:exp17_vs_exp98.png?nolink |}}
</modal>

<modal id="15" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Bleomycin 5μM R08 exp459">
{{:chemogenomics:comparison_plots:exp459_vs_exp98.png?nolink |}}
</modal>

<modal id="16" size="lg" title="BI-6727 0.04μM R03 exp98  vs  THZ1 0.06μM R08 exp531">
{{:chemogenomics:comparison_plots:exp531_vs_exp98.png?nolink |}}
</modal>

<modal id="17" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Hinokiflavone 12μM R08 exp487">
{{:chemogenomics:comparison_plots:exp487_vs_exp98.png?nolink |}}
</modal>

<modal id="18" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Etoposide 0.3μM R05 exp199">
{{:chemogenomics:comparison_plots:exp199_vs_exp98.png?nolink |}}
</modal>

<modal id="19" size="lg" title="BI-6727 0.04μM R03 exp98  vs  Doxorubicin 0.02μM R08 exp478">
{{:chemogenomics:comparison_plots:exp478_vs_exp98.png?nolink |}}
</modal>

<modal id="20" size="lg" title="BI-6727 0.04μM R03 exp98  vs  PU-H71 1μM R08 exp515">
{{:chemogenomics:comparison_plots:exp515_vs_exp98.png?nolink |}}
</modal>

<modal id="21" size="lg" title="BI-6727 0.04μM R03 exp98  vs  SNS-032 15μM R08 exp443">
{{:chemogenomics:comparison_plots:exp443_vs_exp98.png?nolink |}}
</modal>

<modal id="22" size="lg" title="BI-6727 0.04μM R03 exp98  vs  MS023 7μM R03 exp135">
{{:chemogenomics:comparison_plots:exp135_vs_exp98.png?nolink |}}
</modal>

<modal id="23" size="lg" title="BI-2536 0.02μM R03 exp96  vs  BI-6727 0.04μM R03 exp98">
{{:chemogenomics:comparison_plots:exp96_vs_exp98.png?nolink |}}
</modal>

<modal id="24" size="lg" title="Ammonium tetrathiomolybdate 10μM R08 exp448  vs  BI-6727 0.04μM R03 exp98">
{{:chemogenomics:comparison_plots:exp448_vs_exp98.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">
^GO Term^Fold Change^Genes^
|mitotic checkpoint complex|552.63|BUB3,MAD2L1,BUB1B|
|mitotic spindle assembly checkpoint signaling|78.95|BUB3,MAD1L1,MAD2L1,BUB1B|
|spindle assembly checkpoint signaling|78.95|BUB3,MAD1L1,MAD2L1,BUB1B|
|mitotic spindle checkpoint signaling|78.95|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of mitotic sister chromatid separation|71.31|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of mitotic sister chromatid segregation|71.31|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of chromosome segregation|66.99|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of metaphase/anaphase transition of cell cycle|66.99|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of chromosome separation|66.99|BUB3,MAD1L1,MAD2L1,BUB1B|
|spindle checkpoint signaling|57.17|BUB3,MAD1L1,BUB1B|
|negative regulation of mitotic nuclear division|56.68|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of nuclear division|48.06|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of mitotic sister chromatid segregation|41.71|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of mitotic sister chromatid separation|38.11|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of chromosome separation|30.28|BUB3,MAD1L1,MAD2L1,BUB1B|
|negative regulation of chromosome organization|29.47|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of mitotic metaphase/anaphase transition|24.84|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of metaphase/anaphase transition of cell cycle|24.03|BUB3,MAD1L1,MAD2L1,BUB1B|
|regulation of mitotic cell cycle phase transition|10.23|BUB3,MAD1L1,MAD2L1,BUB1B,RPTOR,TFAP4|
</modal>