SGC0946 7μM R03 exp151 [The Human Chemical-Genetic Interaction Map Project]

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====== SGC0946 7μM R03 exp151 ======
==== Mechanism of Action ====
DOT1L methyltransferase inhibitor
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%1-[3-[[(2R,3S,4R,5R)-5-(4-Amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1561178-17-3
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/56962337|56962337]]
    * **<color #00a2e8>IUPAC:</color>** %%1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** IQCKJUKAQJINMK-HUBRGWSESA-N
    * **<color #00a2e8>Molecular Weight:</color>** 618.6
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O
    * **<color #00a2e8>Isomeric SMILES:</color>** CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C(N=CN=C43)N)Br)O)O
    * **<color #00a2e8>Molecular Formula:</color>** C28H40BrN7O4
{{:chemogenomics:structures:chem-0102.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Structural Genomics Consortium
    * **<color #00a2e8>Catalog #:</color>** N/A
    * **<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 C28H40BrN7O4 618.23979; found 618.24052
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** SGC0946
    * **<color #00a2e8>Min:</color>** 1.1554; **<color #00a2e8>Max:</color>** 74.5033
{{:chemogenomics:dose_response:dr_122.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |3.7421    |
| IC30  |5.9725    |
| IC40  |8.7616    |
| IC50  |12.4543    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 03
    * **<color #00a2e8>Dose</color>**: 7µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.2
    * **<color #00a2e8>Numbers of reads</color>**: 9543664


==== 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^
|0/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/SGC0946_7uM_Round-3_exp151.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="default" 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='SGC0946 7μM R03 exp151'>
{{:chemogenomics:cranks_plots:exp151.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:H:HGC6.3|HGC6.3]]|-2.87|0.48|
|[[:human_genes:K:KDSR|KDSR]]|-2.61|0.17|
|[[:human_genes:A:ARL1|ARL1]]|-2.51|0.17|
|[[:human_genes:B:BMF|BMF]]|-2.35|0.17|
|[[:human_genes:G:GNPNAT1|GNPNAT1]]|-2.35|0.17|
|[[:human_genes:N:NFATC1|NFATC1]]|-2.34|0.17|
|[[:human_genes:C:CHKA|CHKA]]|-2.33|0.17|
|[[:human_genes:A:ACAT2|ACAT2]]|-2.29|0.19|
|[[:human_genes:B:BNIP1|BNIP1]]|-2.26|0.19|
|[[:human_genes:F:FDFT1|FDFT1]]|-2.25|0.19|
|[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-2.16|0.36|
|[[:human_genes:A:ALMS1|ALMS1]]|-2.16|0.36|
|[[:human_genes:V:VEZT|VEZT]]|-2.15|0.36|
|[[:human_genes:G:GCLC|GCLC]]|-2.13|0.36|
|[[:human_genes:S:SCYL1|SCYL1]]|-2.12|0.36|
|[[:human_genes:E:EZH2|EZH2]]|-2.10|0.36|
|[[:human_genes:M:MAPK12|MAPK12]]|-2.08|0.36|
|[[:human_genes:S:SMC1A|SMC1A]]|-2.08|0.81|
|[[:human_genes:Z:ZNF34|ZNF34]]|-2.08|0.36|
|[[:human_genes:C:CXorf67|CXorf67]]|-2.07|0.36|
|[[:human_genes:P:PAPPA|PAPPA]]|-2.07|0.36|
|[[:human_genes:R:RPE|RPE]]|-2.06|0.36|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.06|0.36|
|[[:human_genes:L:LOC728485|LOC728485]]|-2.05|0.48|
|[[:human_genes:T:TCF4|TCF4]]|-2.05|0.42|
|[[:human_genes:R:RIF1|RIF1]]|-2.04|0.36|
|[[:human_genes:E:EIF4E2|EIF4E2]]|-2.02|0.44|
|[[:human_genes:T:TBC1D25|TBC1D25]]|-2.01|0.39|
|[[:human_genes:E:ELP3|ELP3]]|-2.01|0.46|
|[[:human_genes:P:PAXIP1|PAXIP1]]|-1.99|0.36|
|[[:human_genes:U:UTY|UTY]]|1.95|0.59|
|[[:human_genes:N:NPRL2|NPRL2]]|1.96|0.65|
|[[:human_genes:S:SPATA12|SPATA12]]|1.97|0.59|
|[[:human_genes:G:GRB14|GRB14]]|1.97|0.59|
|[[:human_genes:N:NKX2-1|NKX2-1]]|2.00|0.59|
|[[:human_genes:N:NSD1|NSD1]]|2.00|0.65|
|[[:human_genes:R:RUVBL1|RUVBL1]]|2.00|0.70|
|[[:human_genes:E:EIF3B|EIF3B]]|2.04|0.69|
|[[:human_genes:C:CDC45|CDC45]]|2.04|0.69|
|[[:human_genes:M:MGAT4D|MGAT4D]]|2.04|0.76|
|[[:human_genes:I:INTS6|INTS6]]|2.04|0.68|
|[[:human_genes:D:DTX3L|DTX3L]]|2.06|0.51|
|[[:human_genes:C:CETN1|CETN1]]|2.06|0.65|
|[[:human_genes:P:PLK4|PLK4]]|2.06|0.68|
|[[:human_genes:R:RUFY2|RUFY2]]|2.06|0.51|
|[[:human_genes:C:CCDC67|CCDC67]]|2.07|0.51|
|[[:human_genes:E:EIF3E|EIF3E]]|2.14|0.65|
|[[:human_genes:M:MTHFD1|MTHFD1]]|2.16|0.66|
|[[:human_genes:C:CDK1|CDK1]]|2.17|0.66|
|[[:human_genes:R:RXFP2|RXFP2]]|2.18|0.51|
|[[:human_genes:P:PSMA3|PSMA3]]|2.18|0.64|
|[[:human_genes:N:NMRK1|NMRK1]]|2.22|0.51|
|[[:human_genes:K:KDM1A|KDM1A]]|2.22|0.59|
|[[:human_genes:P:PROKR2|PROKR2]]|2.23|0.51|
|[[:human_genes:P:PPP1R9A|PPP1R9A]]|2.27|0.51|
|[[:human_genes:C:COPB1|COPB1]]|2.40|0.59|
|[[:human_genes:P:PABPC5|PABPC5]]|2.42|0.21|
|[[:human_genes:N:NPRL3|NPRL3]]|2.42|0.65|
|[[:human_genes:T:TCP1|TCP1]]|2.68|0.06|
|[[:human_genes:D:DEPDC5|DEPDC5]]|3.57|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp155|UNC1999 2μM R03 exp155]]|0.06|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.057|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.053|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp124|GSK343 3μM R03 exp124]]|0.084|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.071|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.063|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp452|Azithromycin 100μM R08 exp452]]|0.06|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.057|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.057|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.054|<button type="primary" size="small" modal="10">View</button>|
</modal>


<modal id="1" size="lg" title="SGC0946 7μM R03 exp151  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp151_vs_exp155.png?nolink |}}
</modal>

<modal id="2" size="lg" title="SGC0946 7μM R03 exp151  vs  Thioridazine 5μM R08 exp530">
{{:chemogenomics:comparison_plots:exp151_vs_exp530.png?nolink |}}
</modal>

<modal id="3" size="lg" title="SGC0946 7μM R03 exp151  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp151_vs_exp422.png?nolink |}}
</modal>

<modal id="4" size="lg" title="GSK343 3μM R03 exp124  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp124_vs_exp151.png?nolink |}}
</modal>

<modal id="5" size="lg" title="IU1-47 25μM R04 exp182  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp182.png?nolink |}}
</modal>

<modal id="6" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp508.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Azithromycin 100μM R08 exp452  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp452.png?nolink |}}
</modal>

<modal id="8" size="lg" title="FTY720 3μM R08 exp483  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp483.png?nolink |}}
</modal>

<modal id="9" size="lg" title="CCT251545 20μM R07 exp326  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp326.png?nolink |}}
</modal>

<modal id="10" size="lg" title="EPZ-5676 30μM R05 exp233  vs  SGC0946 7μM R03 exp151">
{{:chemogenomics:comparison_plots:exp151_vs_exp233.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|GATOR1 complex|552.63|NPRL3,NPRL2|
|Seh1-associated complex|236.84|DEPDC5,NPRL3,NPRL2|
</modal>