====== Taxol 0.002μM R01 exp54 ======
==== Mechanism of Action ====
Inhibits microtubule depolymerisation, blocks metaphase to anaphase transition
* **Class / Subclass 1:** Cell Cycle / Microtubule Poison
* **Class / Subclass 2:** Organelle Function / Cytoskeletal Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%Paclitaxel%%
* **Synonyms:** Taxol
* **CAS #:** 33069-62-4
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/36314|36314]]
* **IUPAC:** %%[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate%%
* **INCHI Name:** InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
* **INCHI Key:** RCINICONZNJXQF-MZXODVADSA-N
* **Molecular Weight:** 853.9
* **Canonical SMILES:** CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
* **Isomeric SMILES:** CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
* **Molecular Formula:** C47H51NO14
{{:chemogenomics:structures:chem-0034.svg?nolink}}
* **Supplier Name:** LC Laboratories
* **Catalog #:** P-9600
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C47H51NO14 854.33823; found 854.33694
* **Platform ID:** Taxol
* **Min:** 2.6702; **Max:** 74.3395
{{:chemogenomics:dose_response:dr_128.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |0.0003 |
| IC30 |0.0010 |
| IC40 |0.0025 |
| IC50 |0.0058 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 01
* **Dose**: 2nM
* **Days of incubation**: 8
* **Doublings**: 7.1
* **Numbers of reads**: 15697968
==== 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^
|4/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Taxol_0.002uM_Round-1_exp54.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp54.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:K:KIF2A|KIF2A]]|-3.22|0.02|
|[[:human_genes:K:KIF4A|KIF4A]]|-3.14|0.01|
|[[:human_genes:G:GAK|GAK]]|-3.11|0.01|
|[[:human_genes:T:TACC3|TACC3]]|-2.96|0.12|
|[[:human_genes:K:KIF18B|KIF18B]]|-2.82|0.04|
|[[:human_genes:D:DLGAP5|DLGAP5]]|-2.71|0.19|
|[[:human_genes:G:GPN2|GPN2]]|-2.54|0.19|
|[[:human_genes:B:BCORL1|BCORL1]]|-2.43|0.53|
|[[:human_genes:V:VEZT|VEZT]]|-2.43|0.19|
|[[:human_genes:K:KNTC1|KNTC1]]|-2.38|0.19|
|[[:human_genes:S:SUGT1|SUGT1]]|-2.37|0.69|
|[[:human_genes:K:KIF2C|KIF2C]]|-2.29|0.19|
|[[:human_genes:K:KATNB1|KATNB1]]|-2.26|0.49|
|[[:human_genes:P:PRKAA1|PRKAA1]]|-2.26|0.57|
|[[:human_genes:A:AP4B1|AP4B1]]|-2.24|0.49|
|[[:human_genes:Y:YRDC|YRDC]]|-2.22|0.81|
|[[:human_genes:R:RHBDL2|RHBDL2]]|-2.21|0.49|
|[[:human_genes:S:SNX16|SNX16]]|-2.20|0.49|
|[[:human_genes:Y:YEATS2|YEATS2]]|-2.20|0.49|
|[[:human_genes:J:JAM3|JAM3]]|-2.15|0.57|
|[[:human_genes:C:CLDN7|CLDN7]]|-2.15|0.26|
|[[:human_genes:C:CTPS1|CTPS1]]|-2.15|0.57|
|[[:human_genes:T:TCF4|TCF4]]|-2.14|0.49|
|[[:human_genes:I:IL20|IL20]]|-2.11|0.53|
|[[:human_genes:U:UHRF1|UHRF1]]|-2.11|0.53|
|[[:human_genes:L:LSM10|LSM10]]|-2.11|0.53|
|[[:human_genes:G:GPR83|GPR83]]|-2.10|0.57|
|[[:human_genes:M:MGAT4B|MGAT4B]]|-2.09|0.53|
|[[:human_genes:S:SLC25A44|SLC25A44]]|-2.08|0.57|
|[[:human_genes:N:NSMCE1|NSMCE1]]|-2.08|0.57|
|[[:human_genes:W:WBSCR17|WBSCR17]]|2.15|0.55|
|[[:human_genes:L:LALBA|LALBA]]|2.16|0.40|
|[[:human_genes:R:RUFY3|RUFY3]]|2.17|0.66|
|[[:human_genes:A:AHCTF1|AHCTF1]]|2.21|0.70|
|[[:human_genes:P:PRPF31|PRPF31]]|2.22|0.69|
|[[:human_genes:P:POLR2J2|POLR2J2]]|2.22|0.69|
|[[:human_genes:C:CACNB2|CACNB2]]|2.22|0.50|
|[[:human_genes:M:MARK4|MARK4]]|2.22|0.40|
|[[:human_genes:C:COL4A2|COL4A2]]|2.25|0.50|
|[[:human_genes:T:TBC1D3C|TBC1D3C]]|2.25|0.56|
|[[:human_genes:R:RPL36A-HNRNPH2|RPL36A-HNRNPH2]]|2.28|0.75|
|[[:human_genes:G:GSTM5|GSTM5]]|2.29|0.60|
|[[:human_genes:S:SNRNP200|SNRNP200]]|2.29|0.66|
|[[:human_genes:T:TBX2|TBX2]]|2.32|0.40|
|[[:human_genes:T:TAF7L|TAF7L]]|2.33|0.40|
|[[:human_genes:S:SLC6A11|SLC6A11]]|2.33|0.48|
|[[:human_genes:P:PSMA6|PSMA6]]|2.34|0.50|
|[[:human_genes:P:PLK4|PLK4]]|2.34|0.50|
|[[:human_genes:M:MYO9A|MYO9A]]|2.36|0.66|
|[[:human_genes:P:POLR2J3|POLR2J3]]|2.38|0.72|
|[[:human_genes:P:PSMB2|PSMB2]]|2.43|0.40|
|[[:human_genes:C:CD6|CD6]]|2.48|0.48|
|[[:human_genes:P:PSMC6|PSMC6]]|2.51|0.40|
|[[:human_genes:N:NOP2|NOP2]]|2.56|0.50|
|[[:human_genes:N:NOP16|NOP16]]|2.68|0.56|
|[[:human_genes:U:UBA52|UBA52]]|2.88|0.50|
|[[:human_genes:I:IER3IP1|IER3IP1]]|2.89|0.50|
|[[:human_genes:N:NUP205|NUP205]]|2.91|0.40|
|[[:human_genes:P:PLK1|PLK1]]|3.05|0.48|
|[[:human_genes:P:POLR2A|POLR2A]]|3.35|0.11|
^Screen^Correlation^Plot^
|[[:results:exp58|UM131593 0.1μM R01 exp58]]|0.092||
|[[:results:exp60|Vinblastine 0.002μM R01 exp60]]|0.066||
|[[:results:exp45|Docetaxel 0.002μM R01 exp45]]|0.089||
|[[:results:exp46|HMS-I1 1μM R01 exp46]]|0.069||
|[[:results:exp49|NFN1 0.1μM R01 exp49]]|0.06||
|[[:results:exp42|BI-6727 0.001μM R01 exp42]]|0.058||
|[[:results:exp184|Ixabepilone 0.004 to 0.005μM on day4 R04 exp184]]|0.056||
|[[:results:exp41|BI-2536 0.001μM R01 exp41]]|0.056||
|[[:results:exp159|Docetaxel 0.001 to 0.002μM on day4 R04 exp159]]|0.052||
{{:chemogenomics:comparison_plots:exp54_vs_exp58.png?nolink |}}
{{:chemogenomics:comparison_plots:exp54_vs_exp60.png?nolink |}}
{{:chemogenomics:comparison_plots:exp45_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp46_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp49_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp42_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp184_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp41_vs_exp54.png?nolink |}}
{{:chemogenomics:comparison_plots:exp159_vs_exp54.png?nolink |}}
^GO Term^Fold Change^Genes^
|kinetochore assembly|131.75|DLGAP5,KNTC1,SUGT1|
|kinetochore organization|107.05|DLGAP5,KNTC1,SUGT1|
|microtubule depolymerization|100.75|KIF2A,KIF2C,KATNB1|
|protein depolymerization|75.12|KIF2A,GAK,KIF18B,KIF2C,KATNB1|
|microtubule motor activity|34.60|KIF2A,KIF4A,KIF18B,KIF2C|
|mitotic sister chromatid segregation|29.82|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|sister chromatid segregation|28.96|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|mitotic nuclear division|24.82|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|protein-containing complex disassembly|20.54|KIF2A,GAK,KIF18B,KIF2C,KATNB1|
|microtubule associated complex|19.96|KIF2A,KIF4A,KIF18B,KIF2C,KATNB1|
|nuclear chromosome segregation|18.50|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|nuclear division|13.32|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|microtubule binding|13.03|KIF2A,KIF4A,KIF18B,DLGAP5,KIF2C,KATNB1|
|spindle|12.44|KIF2A,KIF4A,TACC3,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1,YEATS2|
|chromosome segregation|12.33|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|organelle fission|12.30|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|chromosome organization|10.43|KIF2A,KIF4A,KIF18B,DLGAP5,KNTC1,SUGT1,KIF2C,KATNB1|
|mitotic cell cycle process|8.92|KIF2A,KIF4A,TACC3,KIF18B,DLGAP5,KNTC1,KIF2C,KATNB1|
|microtubule cytoskeleton organization|8.52|KIF2A,KIF4A,TACC3,KIF18B,DLGAP5,SUGT1,KIF2C,KATNB1|
^GO Term^Fold Change^Genes^
|RNA polymerase II, core complex|118.26|POLR2A,POLR2J3,POLR2J2|