====== PU-H71 1μM R08 exp515 ======
==== Mechanism of Action ====
Inhibits HSP90
* **Class / Subclass 1:** Proteostasis / Chaperone Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-%%
* **Synonyms:** N/A
* **CAS #:** 873436-91-0
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/9549213|9549213]]
* **IUPAC:** %%8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine%%
* **INCHI Name:** InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
* **INCHI Key:** SUPVGFZUWFMATN-UHFFFAOYSA-N
* **Molecular Weight:** 512.4
* **Canonical SMILES:** CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
* **Isomeric SMILES:** N/A
* **Molecular Formula:** C18H21IN6O2S
{{:chemogenomics:structures:chem-0320.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-11038
* **Lot #:** 11903
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C18H21IN6O2S 513.05641; found 513.05687
* **Platform ID:** PUH71
* **Min:** 4.2971; **Max:** 84.0737
{{:chemogenomics:dose_response:dr_569.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |0.0125 |
| IC20 |0.0672 |
| IC30 |0.2051 |
| IC40 |0.5121 |
| IC50 |1.1860 |
| IC60 |2.7460 |
| IC70 |6.8570 |
| IC80 |20.9400 |
| IC90 |112.3000 |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 1µM
* **Days of incubation**: 8
* **Doublings**: 0.1
* **Numbers of reads**: 18116362
==== 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^
|10/26|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/PU-H71_1uM_Round-8_exp515.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp515.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:N:NPRL3|NPRL3]]|-3.40|<0.01|
|[[:human_genes:R:RPSA|RPSA]]|-3.15|0.11|
|[[:human_genes:T:TSC1|TSC1]]|-3.14|<0.01|
|[[:human_genes:K:KPTN|KPTN]]|-2.95|<0.01|
|[[:human_genes:T:TXNIP|TXNIP]]|-2.90|<0.01|
|[[:human_genes:T:TCF3|TCF3]]|-2.84|0.04|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.72|0.05|
|[[:human_genes:W:WAPAL|WAPAL]]|-2.69|0.04|
|[[:human_genes:C:COG4|COG4]]|-2.65|0.03|
|[[:human_genes:E:EIF3L|EIF3L]]|-2.65|0.06|
|[[:human_genes:S:SF3A1|SF3A1]]|-2.64|0.11|
|[[:human_genes:E:EIF3K|EIF3K]]|-2.62|0.03|
|[[:human_genes:S:SZT2|SZT2]]|-2.59|0.04|
|[[:human_genes:D:DONSON|DONSON]]|-2.52|0.17|
|[[:human_genes:P:PSMB4|PSMB4]]|-2.52|0.06|
|[[:human_genes:P:POLR2G|POLR2G]]|-2.49|0.11|
|[[:human_genes:P:PDS5B|PDS5B]]|-2.49|0.04|
|[[:human_genes:N:NUDC|NUDC]]|-2.45|0.11|
|[[:human_genes:C:CFLAR|CFLAR]]|-2.44|0.05|
|[[:human_genes:C:C12orf66|C12orf66]]|-2.43|0.08|
|[[:human_genes:A:ARL1|ARL1]]|-2.41|0.05|
|[[:human_genes:G:GPX4|GPX4]]|-2.40|0.05|
|[[:human_genes:S:SKIV2L2|SKIV2L2]]|-2.40|0.15|
|[[:human_genes:C:COPA|COPA]]|-2.39|0.22|
|[[:human_genes:R:RBM39|RBM39]]|-2.37|0.32|
|[[:human_genes:P:POLR1A|POLR1A]]|-2.36|0.12|
|[[:human_genes:N:NELFB|NELFB]]|-2.35|0.11|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-2.32|0.07|
|[[:human_genes:O:OSBP|OSBP]]|-2.31|0.11|
|[[:human_genes:C:CDC20|CDC20]]|-2.26|0.19|
|[[:human_genes:C:CEP44|CEP44]]|2.37|0.04|
|[[:human_genes:G:GMPPB|GMPPB]]|2.39|0.24|
|[[:human_genes:U:URM1|URM1]]|2.41|0.03|
|[[:human_genes:C:C12orf65|C12orf65]]|2.46|0.02|
|[[:human_genes:F:FH|FH]]|2.47|0.07|
|[[:human_genes:E:EIF3F|EIF3F]]|2.51|0.04|
|[[:human_genes:C:CYCS|CYCS]]|2.55|0.02|
|[[:human_genes:A:APAF1|APAF1]]|2.56|0.02|
|[[:human_genes:R:RAB10|RAB10]]|2.56|0.02|
|[[:human_genes:E:EIF4A1|EIF4A1]]|2.59|0.03|
|[[:human_genes:T:TEFM|TEFM]]|2.59|0.02|
|[[:human_genes:K:KMT2D|KMT2D]]|2.62|0.02|
|[[:human_genes:T:TAZ|TAZ]]|2.70|0.09|
|[[:human_genes:C:CASP9|CASP9]]|2.74|<0.01|
|[[:human_genes:P:POLR3C|POLR3C]]|2.76|0.02|
|[[:human_genes:A:ATP5E|ATP5E]]|2.77|0.03|
|[[:human_genes:C:CMC2|CMC2]]|2.78|0.08|
|[[:human_genes:C:C17orf89|C17orf89]]|2.78|<0.01|
|[[:human_genes:R:RPTOR|RPTOR]]|2.79|0.02|
|[[:human_genes:A:ALAS1|ALAS1]]|2.80|0.05|
|[[:human_genes:T:TRIAP1|TRIAP1]]|2.90|0.02|
|[[:human_genes:N:N6AMT1|N6AMT1]]|2.92|0.03|
|[[:human_genes:O:OPA1|OPA1]]|2.94|<0.01|
|[[:human_genes:D:DARS2|DARS2]]|2.95|0.07|
|[[:human_genes:H:HCCS|HCCS]]|3.11|<0.01|
|[[:human_genes:A:ATP5J|ATP5J]]|3.14|<0.01|
|[[:human_genes:T:THG1L|THG1L]]|3.25|<0.01|
|[[:human_genes:F:FBXO11|FBXO11]]|3.27|<0.01|
|[[:human_genes:P:PLAA|PLAA]]|4.19|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|4.52|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.121||
|[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.115||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.094||
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.091||
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.089||
|[[:results:exp532|TIC10 10μM R08 exp532]]|0.083||
|[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.077||
|[[:results:exp34|Rotenone 20μM R00 exp34]]|0.066||
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.066||
|[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.063||
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.062||
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.061||
|[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.058||
|[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.051||
|[[:results:exp108|Vinblastine 0.2μM R03 exp108]]|0.051||
|[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.121||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.118||
|[[:results:exp539|42°C R08 exp539]]|0.11||
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.106||
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.1||
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.097||
|[[:results:exp441|GSK-J4 1.5μM R08 exp441]]|0.097||
|[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.095||
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.095||
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.095||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.091||
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.09||
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.089||
|[[:results:exp19|Etoposide 1μM R00 exp19]]|0.089||
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.086||
|[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.083||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.083||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.081||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.081||
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.08||
|[[:results:exp487|Hinokiflavone 12μM R08 exp487]]|0.076||
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.074||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.071||
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.07||
|[[:results:exp126|GSK461364A 0.1μM R03 exp126]]|0.07||
|[[:results:exp135|MS023 7μM R03 exp135]]|0.069||
|[[:results:exp67|BVD-523 15μM R02 exp67]]|0.065||
|[[:results:exp22|MLN-4924 2μM R00 exp22]]|0.063||
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.061||
|[[:results:exp513|ONC212 0.15μM R08 exp513]]|0.061||
|[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.06||
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.059||
|[[:results:exp134|MS023 2μM R03 exp134]]|0.058||
|[[:results:exp290|LLY-283 2.6μM R06 exp290]]|0.058||
|[[:results:exp350|Deferoxamine 11μM R07 exp350]]|0.057||
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.056||
|[[:results:exp98|BI-6727 0.04μM R03 exp98]]|0.056||
|[[:results:exp66|BI-D1870 3.15μM R02 exp66]]|0.056||
|[[:results:exp17|DABN 20μM R00 exp17]]|0.053||
|[[:results:exp448|Ammonium tetrathiomolybdate 10μM R08 exp448]]|0.052||
|[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.052||
{{:chemogenomics:comparison_plots:exp515_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp443_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp524.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp531.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp532.png?nolink |}}
{{:chemogenomics:comparison_plots:exp28_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp34_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp106_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp84.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp517.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp85.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp416_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp108_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp503_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp539.png?nolink |}}
{{:chemogenomics:comparison_plots:exp478_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp440_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp435_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp441_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp474_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp459_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp456_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp450_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp329_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp199_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp19_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp2_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp3_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp489_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp488_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp451_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp445_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp487_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp468_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp259_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp126_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp135_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp67.png?nolink |}}
{{:chemogenomics:comparison_plots:exp22_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp502_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp513_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp507_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp512_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp134_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp290_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp350_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp357_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp98.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp66.png?nolink |}}
{{:chemogenomics:comparison_plots:exp17_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp448_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp21_vs_exp515.png?nolink |}}
^GO Term^Fold Change^Genes^
|GATOR1 complex|591.75|NPRL3,NPRL2|
|negative regulation of TORC1 signaling|72.16|NPRL3,TSC1,KPTN,NPRL2,SZT2|
|cellular response to amino acid starvation|49.31|NPRL3,KPTN,NPRL2,SZT2|
|response to amino acid starvation|46.41|NPRL3,KPTN,NPRL2,SZT2|
|negative regulation of TOR signaling|44.83|NPRL3,TSC1,KPTN,NPRL2,SZT2|
|regulation of TORC1 signaling|34.40|NPRL3,TSC1,KPTN,NPRL2,SZT2|
|regulation of TOR signaling|21.92|NPRL3,TSC1,KPTN,NPRL2,SZT2|
|cellular response to starvation|17.30|NPRL3,TSC1,KPTN,NPRL2,SZT2|
|response to starvation|14.09|NPRL3,TSC1,KPTN,NPRL2,SZT2|
^GO Term^Fold Change^Genes^
|apoptosome|552.30|CASP9,APAF1|
|activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c|331.38|CASP9,APAF1,CYCS|
|mitochondrial fusion|78.90|BAK1,THG1L,OPA1|
|aerobic respiration|19.59|ATP5PF,ATP5F1E,TEFM,CYCS,FH|
|cellular respiration|16.34|ATP5PF,ATP5F1E,TEFM,CYCS,FH|
|regulation of cysteine-type endopeptidase activity|14.77|BAK1,TRIAP1,CASP9,APAF1,CYCS|
|mitochondrial envelope|7.35|BAK1,THG1L,ATP5PF,HCCS,OPA1,TRIAP1,ALAS1,ATP5F1E,CYCS,MRPS35|
|mitochondrial membrane|7.05|BAK1,THG1L,ATP5PF,HCCS,OPA1,ALAS1,ATP5F1E,CYCS,MRPS35|