====== Tanespimycin 14μM R08 exp527 ======
==== Mechanism of Action ====
Inhibits HSP90, derivative of geldanamycin, a.k.a 17-AAG
* **Class / Subclass 1:** Proteostasis / Chaperone Inhibitor
* **Class / Subclass 2:** Infectious Disease / Antibiotic
==== Technical Notes ====
* **PubChem Name:** %%Tanespimycin%%
* **Synonyms:** 17-AAG; NSC 330507; CP 127374
* **CAS #:** 75747-14-7
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/6505803|6505803]]
* **IUPAC:** %%[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate%%
* **INCHI Name:** InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
* **INCHI Key:** AYUNIORJHRXIBJ-TXHRRWQRSA-N
* **Molecular Weight:** 585.7
* **Canonical SMILES:** CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC
* **Isomeric SMILES:** C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)O)OC
* **Molecular Formula:** C31H43N3O8
{{:chemogenomics:structures:chem-0331.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-10211
* **Lot #:** 33641
* **HRMS (ESI-TOF) m/z:** (M+Na)+ Calcd for C31H43N3O8 608.29424; found 608.295
* **Platform ID:** Tanespimycin
* **Min:** -15.1928; **Max:** 92.7461
{{:chemogenomics:dose_response:dr_583.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |3.3140 |
| IC20 |5.6820 |
| IC30 |8.1310 |
| IC40 |10.9100 |
| IC50 |14.2800 |
| IC60 |18.7000 |
| IC70 |25.0900 |
| IC80 |35.9100 |
| IC90 |61.5700 |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 14µM
* **Days of incubation**: 8
* **Doublings**: -0.0
* **Numbers of reads**: 17340648
==== 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^
|1/28|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Tanespimycin_14uM_Round-8_exp527.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp527.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:M:MDM2|MDM2]]|-3.33|0.03|
|[[:human_genes:R:RPL8|RPL8]]|-3.26|0.29|
|[[:human_genes:R:RPS4X|RPS4X]]|-2.71|0.19|
|[[:human_genes:T:THAP4|THAP4]]|-2.69|0.06|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.66|0.10|
|[[:human_genes:K:KPTN|KPTN]]|-2.64|0.06|
|[[:human_genes:N:NSF|NSF]]|-2.49|0.27|
|[[:human_genes:E:EIF2S1|EIF2S1]]|-2.47|0.52|
|[[:human_genes:A:AAMP|AAMP]]|-2.42|0.28|
|[[:human_genes:V:VPS54|VPS54]]|-2.39|0.19|
|[[:human_genes:P:POLD3|POLD3]]|-2.39|0.55|
|[[:human_genes:A:ATXN7L3|ATXN7L3]]|-2.37|0.27|
|[[:human_genes:T:TSSC1|TSSC1]]|-2.36|0.19|
|[[:human_genes:E:EIF5|EIF5]]|-2.35|0.27|
|[[:human_genes:E:EP300|EP300]]|-2.32|0.30|
|[[:human_genes:P:PSMD7|PSMD7]]|-2.30|0.39|
|[[:human_genes:A:ANKFY1|ANKFY1]]|-2.30|0.19|
|[[:human_genes:N:NUP160|NUP160]]|-2.30|0.39|
|[[:human_genes:P:POLR1B|POLR1B]]|-2.28|0.57|
|[[:human_genes:P:PSMD13|PSMD13]]|-2.28|0.23|
|[[:human_genes:Z:ZFAND5|ZFAND5]]|-2.27|0.19|
|[[:human_genes:C:CMYA5|CMYA5]]|-2.27|0.28|
|[[:human_genes:C:COPZ1|COPZ1]]|-2.25|0.19|
|[[:human_genes:T:TAF1|TAF1]]|-2.24|0.26|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-2.24|0.19|
|[[:human_genes:R:RBM39|RBM39]]|-2.22|0.52|
|[[:human_genes:S:SCYL1|SCYL1]]|-2.21|0.27|
|[[:human_genes:U:UBE2D2|UBE2D2]]|-2.16|0.23|
|[[:human_genes:T:TINF2|TINF2]]|-2.16|0.30|
|[[:human_genes:C:C3orf17|C3orf17]]|-2.15|0.23|
|[[:human_genes:R:RPUSD4|RPUSD4]]|2.34|0.04|
|[[:human_genes:P:PMM2|PMM2]]|2.35|0.04|
|[[:human_genes:H:HSD17B10|HSD17B10]]|2.44|0.04|
|[[:human_genes:D:DIABLO|DIABLO]]|2.48|0.02|
|[[:human_genes:S:SNX27|SNX27]]|2.51|0.02|
|[[:human_genes:C:COA5|COA5]]|2.52|0.06|
|[[:human_genes:D:DARS2|DARS2]]|2.52|0.15|
|[[:human_genes:R:RNMT|RNMT]]|2.56|0.03|
|[[:human_genes:B:BAP1|BAP1]]|2.58|0.03|
|[[:human_genes:N:N6AMT1|N6AMT1]]|2.60|0.09|
|[[:human_genes:T:TAZ|TAZ]]|2.60|0.14|
|[[:human_genes:F:FAF2|FAF2]]|2.63|0.04|
|[[:human_genes:N:NDUFA2|NDUFA2]]|2.63|0.02|
|[[:human_genes:T:TMEM126B|TMEM126B]]|2.68|0.02|
|[[:human_genes:E:ENY2|ENY2]]|2.70|0.02|
|[[:human_genes:C:CHCHD4|CHCHD4]]|2.71|<0.01|
|[[:human_genes:C:CYSLTR1|CYSLTR1]]|2.76|<0.01|
|[[:human_genes:C:CYCS|CYCS]]|2.76|<0.01|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.79|<0.01|
|[[:human_genes:T:TP53|TP53]]|2.92|<0.01|
|[[:human_genes:H:HCCS|HCCS]]|3.01|0.01|
|[[:human_genes:A:ATP5J|ATP5J]]|3.02|<0.01|
|[[:human_genes:N:NDUFAF4|NDUFAF4]]|3.09|<0.01|
|[[:human_genes:U:UBQLN1|UBQLN1]]|3.14|<0.01|
|[[:human_genes:G:GMPPB|GMPPB]]|3.17|0.08|
|[[:human_genes:D:DOHH|DOHH]]|3.18|<0.01|
|[[:human_genes:A:APAF1|APAF1]]|3.23|<0.01|
|[[:human_genes:M:MARCH5|MARCH5]]|3.67|<0.01|
|[[:human_genes:P:PLAA|PLAA]]|3.93|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|5.54|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.089||
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.059||
|[[:results:exp414|Tozasertib 0.1μM R07 exp414]]|0.056||
|[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.051||
|[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.131||
|[[:results:exp441|GSK-J4 1.5μM R08 exp441]]|0.117||
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.115||
|[[:results:exp532|TIC10 10μM R08 exp532]]|0.112||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.112||
|[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.108||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.107||
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.098||
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.096||
|[[:results:exp513|ONC212 0.15μM R08 exp513]]|0.095||
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.089||
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.086||
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.086||
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.084||
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.083||
|[[:results:exp448|Ammonium tetrathiomolybdate 10μM R08 exp448]]|0.083||
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.082||
|[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.079||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.077||
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.077||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.075||
|[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.073||
|[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.072||
|[[:results:exp135|MS023 7μM R03 exp135]]|0.072||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.07||
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.069||
|[[:results:exp19|Etoposide 1μM R00 exp19]]|0.068||
|[[:results:exp539|42°C R08 exp539]]|0.065||
|[[:results:exp34|Rotenone 20μM R00 exp34]]|0.061||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.06||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.06||
|[[:results:exp487|Hinokiflavone 12μM R08 exp487]]|0.059||
|[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.057||
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.057||
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.055||
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.053||
|[[:results:exp134|MS023 2μM R03 exp134]]|0.052||
|[[:results:exp350|Deferoxamine 11μM R07 exp350]]|0.051||
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.051||
{{:chemogenomics:comparison_plots:exp527_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp85.png?nolink |}}
{{:chemogenomics:comparison_plots:exp414_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp84.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp441_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp532.png?nolink |}}
{{:chemogenomics:comparison_plots:exp503_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp28_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp451_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp440_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp459_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp513_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp531.png?nolink |}}
{{:chemogenomics:comparison_plots:exp456_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp199_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp259_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp329_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp448_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp2_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp3_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp443_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp524_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp489_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp474_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp135_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp478_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp19_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp539.png?nolink |}}
{{:chemogenomics:comparison_plots:exp34_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp450_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp488_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp487_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp507_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp435_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp502_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp357_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp134_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp350_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp485_vs_exp527.png?nolink |}}
^GO Term^Fold Change^Genes^
|cellular response to UV|33.61|MDM2,EIF2S1,POLD3,EP300,TAF1|
|cellular response to light stimulus|26.21|MDM2,EIF2S1,POLD3,EP300,TAF1|
^GO Term^Fold Change^Genes^
|GDP-mannose biosynthetic process|368.20|GMPPB,PMM2|
|activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c|331.38|APAF1,CYCS,DIABLO|
|mitochondrial respiratory chain complex assembly|31.74|NDUFAF4,CHCHD4,TMEM126B,NDUFA2,COA5|
|intrinsic apoptotic signaling pathway|17.26|BAK1,APAF1,TP53,CYCS,DIABLO|
|response to endoplasmic reticulum stress|14.73|BAK1,APAF1,UBQLN1,TP53,MBTPS2,FAF2|
|mitochondrion organization|10.52|BAK1,NDUFAF4,TP53,CHCHD4,TMEM126B,NDUFA2,COA5,HSD17B10|
|mitochondrial envelope|7.35|BAK1,MARCHF5,NDUFAF4,ATP5PF,HCCS,CYCS,CHCHD4,TMEM126B,NDUFA2,DIABLO|