====== BI-6727 0.001μM R01 exp42 ======
==== Mechanism of Action ====
Inhibits PLK1 kinase, causes G2/M arrest, improved version of BI-2536
* **Class / Subclass 1:** Cell Cycle / Mitotic Inhibitor
* **Class / Subclass 2:** Signal Transduction / Kinase Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%Volasertib%%
* **Synonyms:** BI 6727
* **CAS #:** 755038-65-4
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/10461508|10461508]]
* **IUPAC:** %%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%%
* **INCHI Name:** 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
* **INCHI Key:** SXNJFOWDRLKDSF-XKHVUIRMSA-N
* **Molecular Weight:** 618.8
* **Canonical SMILES:** 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
* **Isomeric SMILES:** 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
* **Molecular Formula:** C34H50N8O3
{{:chemogenomics:structures:chem-0023.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-12137
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C34H50N8O3 619.40786; found 619.4097
* **Platform ID:** BI6727
* **Min:** -7.8407; **Max:** 99.1028
{{:chemogenomics:dose_response:dr_75.png?nolink&500 |}}
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^ 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 |
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==== Screen Summary ====
* **Round**: 01
* **Dose**: 1nM
* **Days of incubation**: 8
* **Doublings**: 6.8
* **Numbers of reads**: 12280512
==== 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|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BI-6727_0.001uM_Round-1_exp42.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp42.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:U:UBA3|UBA3]]|-2.55|0.81|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.54|0.81|
|[[:human_genes:D:DLG5|DLG5]]|-2.34|0.81|
|[[:human_genes:P:PSMG4|PSMG4]]|-2.32|0.81|
|[[:human_genes:U:USP17L17|USP17L17]]|-2.30|0.87|
|[[:human_genes:S:SRPK1|SRPK1]]|-2.29|0.81|
|[[:human_genes:F:FSD2|FSD2]]|-2.26|0.81|
|[[:human_genes:W:WDR27|WDR27]]|-2.22|0.81|
|[[:human_genes:W:WDR82|WDR82]]|-2.20|0.81|
|[[:human_genes:H:HIST1H4C|HIST1H4C]]|-2.18|0.81|
|[[:human_genes:P:PRSS38|PRSS38]]|-2.18|0.81|
|[[:human_genes:R:RFWD3|RFWD3]]|-2.12|0.81|
|[[:human_genes:G:GPN2|GPN2]]|-2.09|0.81|
|[[:human_genes:N:NBPF12|NBPF12]]|-2.09|0.88|
|[[:human_genes:S:SENP5|SENP5]]|-2.07|0.81|
|[[:human_genes:R:RINL|RINL]]|-2.06|0.83|
|[[:human_genes:T:TIPARP|TIPARP]]|-2.05|0.81|
|[[:human_genes:N:NSMCE1|NSMCE1]]|-2.04|0.81|
|[[:human_genes:P:PFN1|PFN1]]|-2.03|0.81|
|[[:human_genes:C:C11orf74|C11orf74]]|-2.01|0.81|
|[[:human_genes:A:ALPL|ALPL]]|-2.01|0.81|
|[[:human_genes:D:DICER1|DICER1]]|-2.00|0.81|
|[[:human_genes:T:THEGL|THEGL]]|-2.00|0.81|
|[[:human_genes:T:TGM2|TGM2]]|-2.00|0.81|
|[[:human_genes:P:PELI3|PELI3]]|-1.99|0.81|
|[[:human_genes:S:SMPD3|SMPD3]]|-1.98|0.85|
|[[:human_genes:Z:ZCRB1|ZCRB1]]|-1.97|0.81|
|[[:human_genes:G:G2E3|G2E3]]|-1.97|0.81|
|[[:human_genes:E:ETV7|ETV7]]|-1.97|0.81|
|[[:human_genes:P:PSKH2|PSKH2]]|-1.97|0.81|
|[[:human_genes:O:OXR1|OXR1]]|2.11|0.39|
|[[:human_genes:N:NRIP1|NRIP1]]|2.11|0.41|
|[[:human_genes:T:TNFRSF6B|TNFRSF6B]]|2.11|0.47|
|[[:human_genes:U:U2AF2|U2AF2]]|2.17|0.51|
|[[:human_genes:C:CCND3|CCND3]]|2.18|0.51|
|[[:human_genes:H:HDGFRP2|HDGFRP2]]|2.20|0.50|
|[[:human_genes:P:PPP2R2A|PPP2R2A]]|2.23|0.49|
|[[:human_genes:E:ELTD1|ELTD1]]|2.24|0.39|
|[[:human_genes:R:RFC4|RFC4]]|2.25|0.47|
|[[:human_genes:K:KCNJ2|KCNJ2]]|2.26|0.59|
|[[:human_genes:C:CCDC153|CCDC153]]|2.28|0.41|
|[[:human_genes:O:OR52A5|OR52A5]]|2.28|0.39|
|[[:human_genes:P:PSMG1|PSMG1]]|2.29|0.39|
|[[:human_genes:P:PSMA3|PSMA3]]|2.31|0.41|
|[[:human_genes:S:SMARCE1|SMARCE1]]|2.32|0.53|
|[[:human_genes:S:SPATA12|SPATA12]]|2.33|0.36|
|[[:human_genes:P:PSMA6|PSMA6]]|2.33|0.41|
|[[:human_genes:S:SMAD2|SMAD2]]|2.35|0.41|
|[[:human_genes:C:CACNG6|CACNG6]]|2.36|0.36|
|[[:human_genes:Z:ZNF497|ZNF497]]|2.36|0.39|
|[[:human_genes:A:AHCTF1|AHCTF1]]|2.37|0.66|
|[[:human_genes:B:BRD8|BRD8]]|2.38|0.41|
|[[:human_genes:F:FAM178A|FAM178A]]|2.48|0.72|
|[[:human_genes:E:ERC1|ERC1]]|2.54|0.39|
|[[:human_genes:C:C6orf120|C6orf120]]|2.54|0.39|
|[[:human_genes:S:SLC4A1|SLC4A1]]|2.60|0.41|
|[[:human_genes:A:AAAS|AAAS]]|2.63|0.39|
|[[:human_genes:G:GOLGA8H|GOLGA8H]]|2.82|0.41|
|[[:human_genes:S:SERGEF|SERGEF]]|2.82|0.36|
|[[:human_genes:P:PRPF31|PRPF31]]|2.83|0.41|
^Screen^Correlation^Plot^
|[[:results:exp58|UM131593 0.1μM R01 exp58]]|0.068||
|[[:results:exp54|Taxol 0.002μM R01 exp54]]|0.058||
{{:chemogenomics:comparison_plots:exp42_vs_exp58.png?nolink |}}
{{:chemogenomics:comparison_plots:exp42_vs_exp54.png?nolink |}}
No GO term hits below threshold. (FDR <0.05)
No GO term hits below threshold. (FDR <0.05)