INK128 0.2μM R02 exp70 [The Human Chemical-Genetic Interaction Map Project]

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====== INK128 0.2μM R02 exp70 ======
==== Mechanism of Action ====
Inhibits mTORC1 and mTORC2, ATP-competitive
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor
  * **<color #00a2e8>Class / Subclass 2:</color>** Proteostasis / mTOR inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Sapanisertib%%
    * **<color #00a2e8>Synonyms:</color>** INK-128; MLN0128; TAK-228
    * **<color #00a2e8>CAS #:</color>** 1224844-38-5
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/45375953|45375953]]
    * **<color #00a2e8>IUPAC:</color>** %%5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
    * **<color #00a2e8>INCHI Key:</color>** GYLDXIAOMVERTK-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 309.33
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C15H15N7O
{{:chemogenomics:structures:chem-0046.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Selleck Chemicals
    * **<color #00a2e8>Catalog #:</color>** S2811
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C15H15N7O 310.14108; found 310.1415
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** INK128
    * **<color #00a2e8>Min:</color>** -13.2131; **<color #00a2e8>Max:</color>** 80.1073
{{:chemogenomics:dose_response:dr_11.png?nolink&500 |}}
\\ 
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0967    |
| IC30  |0.1748    |
| IC40  |0.2838    |
| IC50  |0.4429    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 02
    * **<color #00a2e8>Dose</color>**: 200nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.4
    * **<color #00a2e8>Numbers of reads</color>**: 9512731


==== 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^
|0/5|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/INK128_0.2uM_Round-2_exp70.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='INK128 0.2μM R02 exp70'>
{{:chemogenomics:cranks_plots:exp70.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:R:RRAGA|RRAGA]]|-2.75|0.12|
|[[:human_genes:T:THAP1|THAP1]]|-2.74|0.12|
|[[:human_genes:B:BIRC2|BIRC2]]|-2.62|0.12|
|[[:human_genes:R:RNF38|RNF38]]|-2.58|0.12|
|[[:human_genes:S:SLC1A2|SLC1A2]]|-2.42|0.12|
|[[:human_genes:L:LAMTOR4|LAMTOR4]]|-2.38|0.13|
|[[:human_genes:A:AQP10|AQP10]]|-2.32|0.49|
|[[:human_genes:G:GINS2|GINS2]]|-2.22|0.58|
|[[:human_genes:Z:ZXDB|ZXDB]]|-2.11|0.47|
|[[:human_genes:L:LAMTOR2|LAMTOR2]]|-2.10|0.47|
|[[:human_genes:T:TRAPPC8|TRAPPC8]]|-2.10|0.58|
|[[:human_genes:S:SIN3A|SIN3A]]|-2.09|0.47|
|[[:human_genes:N:NOP58|NOP58]]|-2.08|0.58|
|[[:human_genes:G:GPC1|GPC1]]|-2.05|0.49|
|[[:human_genes:X:XPO1|XPO1]]|-2.05|0.78|
|[[:human_genes:T:TRIM3|TRIM3]]|-2.03|0.49|
|[[:human_genes:F:FAM219A|FAM219A]]|-2.02|0.58|
|[[:human_genes:N:NRAS|NRAS]]|-2.00|0.58|
|[[:human_genes:K:KCTD5|KCTD5]]|-1.98|0.58|
|[[:human_genes:T:TIPRL|TIPRL]]|-1.98|0.58|
|[[:human_genes:C:C6orf118|C6orf118]]|-1.98|0.58|
|[[:human_genes:H:HEXIM1|HEXIM1]]|-1.97|0.58|
|[[:human_genes:U:U2AF2|U2AF2]]|-1.97|0.58|
|[[:human_genes:A:AKT1|AKT1]]|-1.95|0.58|
|[[:human_genes:L:LAMC2|LAMC2]]|-1.94|0.58|
|[[:human_genes:I:ICA1L|ICA1L]]|-1.91|0.58|
|[[:human_genes:O:OR5P3|OR5P3]]|-1.89|0.58|
|[[:human_genes:P:PDGFRB|PDGFRB]]|-1.89|0.58|
|[[:human_genes:V:VTA1|VTA1]]|-1.88|0.58|
|[[:human_genes:C:C3orf43|C3orf43]]|-1.86|0.58|
|[[:human_genes:T:TCTE3|TCTE3]]|2.05|0.31|
|[[:human_genes:D:DIAPH3|DIAPH3]]|2.08|0.37|
|[[:human_genes:B:BTK|BTK]]|2.09|0.31|
|[[:human_genes:A:ADIPOR1|ADIPOR1]]|2.09|0.21|
|[[:human_genes:F:FAM136A|FAM136A]]|2.10|0.34|
|[[:human_genes:T:TRIAP1|TRIAP1]]|2.10|0.34|
|[[:human_genes:D:DHX35|DHX35]]|2.10|0.21|
|[[:human_genes:E:EIF2AK3|EIF2AK3]]|2.12|0.21|
|[[:human_genes:N:NFATC3|NFATC3]]|2.13|0.27|
|[[:human_genes:E:EIF4A1|EIF4A1]]|2.14|0.27|
|[[:human_genes:D:DNAJC2|DNAJC2]]|2.20|0.39|
|[[:human_genes:U:UBE2H|UBE2H]]|2.20|0.16|
|[[:human_genes:P:PTEN|PTEN]]|2.23|0.15|
|[[:human_genes:R:RREB1|RREB1]]|2.24|0.21|
|[[:human_genes:P:POLRMT|POLRMT]]|2.24|0.15|
|[[:human_genes:L:LDHB|LDHB]]|2.27|0.20|
|[[:human_genes:E:EIF4EBP1|EIF4EBP1]]|2.30|0.14|
|[[:human_genes:S:SON|SON]]|2.31|0.17|
|[[:human_genes:T:TNC|TNC]]|2.38|0.10|
|[[:human_genes:Z:ZFC3H1|ZFC3H1]]|2.41|0.14|
|[[:human_genes:P:PGM3|PGM3]]|2.43|0.14|
|[[:human_genes:M:MEIG1|MEIG1]]|2.45|0.34|
|[[:human_genes:K:KIAA0195|KIAA0195]]|2.63|0.06|
|[[:human_genes:P:PSMD7|PSMD7]]|2.63|0.40|
|[[:human_genes:R:RPE|RPE]]|2.63|0.06|
|[[:human_genes:A:AKT1S1|AKT1S1]]|2.83|0.01|
|[[:human_genes:D:DAZAP1|DAZAP1]]|2.90|<0.01|
|[[:human_genes:F:FIBP|FIBP]]|4.09|<0.01|
|[[:human_genes:P:PPP3CA|PPP3CA]]|4.22|<0.01|
|[[:human_genes:P:PPP3R1|PPP3R1]]|4.73|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp82|Torin1 0.08μM R02 exp82]]|0.116|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp71|KU-0063794 3.8μM R02 exp71]]|0.094|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp30|Rapamycin 10μM R00 exp30]]|0.058|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp29|Rapamycin 1μM R00 exp29]]|0.057|<button type="primary" size="small" modal="4">View</button>|
</modal>


<modal id="1" size="lg" title="INK128 0.2μM R02 exp70  vs  Torin1 0.08μM R02 exp82">
{{:chemogenomics:comparison_plots:exp70_vs_exp82.png?nolink |}}
</modal>

<modal id="2" size="lg" title="INK128 0.2μM R02 exp70  vs  KU-0063794 3.8μM R02 exp71">
{{:chemogenomics:comparison_plots:exp70_vs_exp71.png?nolink |}}
</modal>

<modal id="3" size="lg" title="INK128 0.2μM R02 exp70  vs  Rapamycin 10μM R00 exp30">
{{:chemogenomics:comparison_plots:exp30_vs_exp70.png?nolink |}}
</modal>

<modal id="4" size="lg" title="INK128 0.2μM R02 exp70  vs  Rapamycin 1μM R00 exp29">
{{:chemogenomics:comparison_plots:exp29_vs_exp70.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|GTPase activator complex|184.27|RRAGA,LAMTOR4,LAMTOR2|
|enzyme activator complex|122.84|RRAGA,LAMTOR4,LAMTOR2|
|positive regulation of TORC1 signaling|49.14|RRAGA,LAMTOR4,LAMTOR2,AKT1|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|calcineurin-NFAT signaling cascade|118.46|PPP3R1,PPP3CA,NFATC3|
|calcineurin-mediated signaling|97.55|PPP3R1,PPP3CA,NFATC3|
|calcium-mediated signaling|17.95|PPP3R1,PPP3CA,NFATC3,EIF2AK3,BTK|
</modal>