====== Taxol 0.004μM R03 exp103 ====== ==== 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:** -3.3721; **Max:** 85.0520 {{:chemogenomics:dose_response:dr_244.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |0.0020 | | IC30 |0.0023 | | IC40 |0.0025 | | IC50 |0.0028 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 03 * **Dose**: 4nM * **Days of incubation**: 8 * **Doublings**: 5.1 * **Numbers of reads**: 13302692 ==== 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^ |37/35|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Taxol_0.004uM_Round-3_exp103.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp103.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:K:KIF18B|KIF18B]]|-5.38|<0.01| |[[:human_genes:K:KIF2C|KIF2C]]|-4.17|<0.01| |[[:human_genes:T:TACC3|TACC3]]|-3.81|<0.01| |[[:human_genes:S:SEPHS1|SEPHS1]]|-3.55|<0.01| |[[:human_genes:U:UBE4B|UBE4B]]|-3.55|<0.01| |[[:human_genes:K:KIF2A|KIF2A]]|-3.27|<0.01| |[[:human_genes:G:GAK|GAK]]|-3.21|<0.01| |[[:human_genes:P:PPP2R5C|PPP2R5C]]|-3.15|<0.01| |[[:human_genes:D:DLGAP5|DLGAP5]]|-3.10|<0.01| |[[:human_genes:K:KATNA1|KATNA1]]|-3.00|<0.01| |[[:human_genes:K:KATNB1|KATNB1]]|-2.98|<0.01| |[[:human_genes:R:RUVBL1|RUVBL1]]|-2.94|0.11| |[[:human_genes:K:KMT2D|KMT2D]]|-2.90|<0.01| |[[:human_genes:N:NEDD1|NEDD1]]|-2.82|0.03| |[[:human_genes:M:MSI2|MSI2]]|-2.80|<0.01| |[[:human_genes:K:KLF16|KLF16]]|-2.78|0.02| |[[:human_genes:M:MCTS1|MCTS1]]|-2.75|<0.01| |[[:human_genes:C:CNOT2|CNOT2]]|-2.71|<0.01| |[[:human_genes:K:KIF4A|KIF4A]]|-2.69|<0.01| |[[:human_genes:P:PPME1|PPME1]]|-2.68|0.03| |[[:human_genes:G:GNA13|GNA13]]|-2.64|<0.01| |[[:human_genes:T:TRIP13|TRIP13]]|-2.63|0.02| |[[:human_genes:E:ELAVL1|ELAVL1]]|-2.60|0.01| |[[:human_genes:K:KEAP1|KEAP1]]|-2.60|0.01| |[[:human_genes:G:GTSE1|GTSE1]]|-2.59|0.01| |[[:human_genes:C:CDCA2|CDCA2]]|-2.58|0.01| |[[:human_genes:S:SMEK1|SMEK1]]|-2.57|0.01| |[[:human_genes:A:ANP32A|ANP32A]]|-2.53|0.03| |[[:human_genes:H:HMMR|HMMR]]|-2.48|0.03| |[[:human_genes:M:MAP4|MAP4]]|-2.48|0.03| |[[:human_genes:Z:ZNF280D|ZNF280D]]|2.50|0.01| |[[:human_genes:H:HOXC10|HOXC10]]|2.50|0.11| |[[:human_genes:P:PPP1CC|PPP1CC]]|2.51|0.01| |[[:human_genes:C:CHD7|CHD7]]|2.51|0.03| |[[:human_genes:P:PNPLA8|PNPLA8]]|2.52|0.05| |[[:human_genes:P:PRKRIR|PRKRIR]]|2.52|0.01| |[[:human_genes:C:CRKL|CRKL]]|2.56|0.02| |[[:human_genes:M:MBNL1|MBNL1]]|2.56|0.01| |[[:human_genes:P:PFDN4|PFDN4]]|2.57|0.01| |[[:human_genes:T:TP53BP1|TP53BP1]]|2.60|0.01| |[[:human_genes:U:UFC1|UFC1]]|2.63|0.01| |[[:human_genes:M:MED13L|MED13L]]|2.74|0.01| |[[:human_genes:A:ATF6|ATF6]]|2.75|0.01| |[[:human_genes:C:C4orf29|C4orf29]]|2.79|<0.01| |[[:human_genes:S:SSSCA1|SSSCA1]]|2.79|<0.01| |[[:human_genes:T:TMEM126B|TMEM126B]]|2.82|<0.01| |[[:human_genes:P:PFDN5|PFDN5]]|2.96|<0.01| |[[:human_genes:U:UFSP2|UFSP2]]|3.17|<0.01| |[[:human_genes:M:MAPKAPK5|MAPKAPK5]]|3.19|<0.01| |[[:human_genes:S:SLC4A7|SLC4A7]]|3.25|<0.01| |[[:human_genes:S:SLAIN1|SLAIN1]]|3.34|<0.01| |[[:human_genes:V:VBP1|VBP1]]|3.37|<0.01| |[[:human_genes:C:COPS7B|COPS7B]]|3.48|<0.01| |[[:human_genes:T:TP53|TP53]]|3.79|<0.01| |[[:human_genes:T:TUBA1B|TUBA1B]]|4.28|<0.01| |[[:human_genes:S:SAMHD1|SAMHD1]]|4.50|<0.01| |[[:human_genes:C:CLASP1|CLASP1]]|4.73|<0.01| |[[:human_genes:F:FBXO11|FBXO11]]|5.41|<0.01| |[[:human_genes:A:AHCYL1|AHCYL1]]|5.95|<0.01| |[[:human_genes:K:KIFC1|KIFC1]]|6.29|<0.01| ^Screen^Correlation^Plot^ |[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.084|| |[[:results:exp59|UMK57 1μM R01 exp59]]|0.078|| |[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.062|| |[[:results:exp60|Vinblastine 0.002μM R01 exp60]]|0.056|| |[[:results:exp184|Ixabepilone 0.004 to 0.005μM on day4 R04 exp184]]|0.181|| |[[:results:exp231|Epothilone-B 0.0015μM R05 exp231]]|0.155|| |[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.109|| |[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.104|| |[[:results:exp223|Cabazitaxel 0.001μM R05 exp223]]|0.096|| |[[:results:exp45|Docetaxel 0.002μM R01 exp45]]|0.083|| |[[:results:exp179|Combretastatin A4 0.002 to 0.003μM day4 R04 exp179]]|0.076|| |[[:results:exp517|Quercetin 20μM R08 exp517]]|0.075|| |[[:results:exp228|Demecolcine 0.03μM R05 exp228]]|0.066|| |[[:results:exp525|Sulforaphane 9μM R08 exp525]]|0.066|| |[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.062|| |[[:results:exp215|Colchicine 0.009μM R05 exp215]]|0.06|| |[[:results:exp159|Docetaxel 0.001 to 0.002μM on day4 R04 exp159]]|0.059|| |[[:results:exp95|BI-2536 0.0042μM R03 exp95]]|0.057|| |[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.056|| |[[:results:exp46|HMS-I1 1μM R01 exp46]]|0.053|| |[[:results:exp243|S-trityl-L-cysteine 0.5μM R05 exp243]]|0.051|| {{:chemogenomics:comparison_plots:exp103_vs_exp190.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp59.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp106.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp60.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp184.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp231.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp460.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp217.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp223.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp45.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp179.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp517.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp228.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp525.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp526.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp215.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp159.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp95.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp500.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp46.png?nolink |}} {{:chemogenomics:comparison_plots:exp103_vs_exp243.png?nolink |}} ^GO Term^Fold Change^Genes^ |protein depolymerization|75.22|KIF18B,KIF2C,KIF2A,GAK,KATNB1| |mitotic sister chromatid segregation|25.04|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,KIF4A| |sister chromatid segregation|24.33|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,KIF4A| |mitotic nuclear division|20.92|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,KIF4A| |spindle pole|20.18|TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1| |nuclear chromosome segregation|18.19|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,KIF4A,TRIP13| |microtubule binding|17.26|KIF18B,KIF2C,KIF2A,DLGAP5,KATNA1,KATNB1,KIF4A,GTSE1| |tubulin binding|14.06|KIF18B,KIF2C,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1,KIF4A,GTSE1| |chromosome segregation|13.94|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,KIF4A,TRIP13,CDCA2| |spindle|13.78|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1,KIF4A,HMMR| |cell division|11.30|KIF18B,KIF2C,TACC3,KIF2A,KATNA1,KATNB1,RUVBL1,NEDD1,KIF4A,CDCA2| |mitotic cell cycle process|11.06|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNB1,KIF4A,PPME1,TRIP13,GTSE1| |mitotic cell cycle|10.46|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNB1,NEDD1,KIF4A,PPME1,TRIP13,GTSE1| |chromosome organization|10.37|KIF18B,KIF2C,KIF2A,DLGAP5,KATNB1,RUVBL1,KIF4A,TRIP13| |microtubule cytoskeleton organization|9.53|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1,KIF4A| |centrosome|8.35|KIF2C,TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1,KEAP1,HMMR| |microtubule organizing center|7.79|KIF2C,TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,RUVBL1,NEDD1,KEAP1,PPP4R3A,HMMR| |microtubule-based process|7.32|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNA1,KATNB1,NEDD1,KIF4A,GTSE1| |cell cycle process|7.20|KIF18B,KIF2C,TACC3,KIF2A,DLGAP5,KATNB1,KIF4A,PPME1,TRIP13,GTSE1,CDCA2| ^GO Term^Fold Change^Genes^ |regulation of amyloid fibril formation|110.53|VBP1,PFDN5,PFDN4|