UNC1999 2μM R03 exp155 [The Human Chemical-Genetic Interaction Map Project]

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.
====== UNC1999 2μM R03 exp155 ======
==== Mechanism of Action ====
Inhibits EZH2 catalytic subunit of PRC2 histone methyltransferase (H3K27me3)
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%N-[(6-Methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1431612-23-5
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/72551585|72551585]]
    * **<color #00a2e8>IUPAC:</color>** %%N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)pyridin-3-yl]indazole-4-carboxamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)
    * **<color #00a2e8>INCHI Key:</color>** DPJNKUOXBZSZAI-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 569.7
    * **<color #00a2e8>Canonical SMILES:</color>** CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C33H43N7O2
{{:chemogenomics:structures:chem-0106.svg?nolink}}
</panel>


<panel title='Protein 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='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C33H43N7O2 570.3551; found 570.35617
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** UNC1999
    * **<color #00a2e8>Min:</color>** -5.1046; **<color #00a2e8>Max:</color>** 98.9328
{{:chemogenomics:dose_response:dr_160.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |1.4722    |
| IC30  |2.1540    |
| IC40  |2.9427    |
| IC50  |3.9181    |
| 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>**: 2µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.0
    * **<color #00a2e8>Numbers of reads</color>**: 10487296


==== 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^
|2/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/UNC1999_2uM_Round-3_exp155.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="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='UNC1999 2μM R03 exp155'>
{{:chemogenomics:cranks_plots:exp155.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:T:TCF4|TCF4]]|-3.82|<0.01|
|[[:human_genes:K:KDSR|KDSR]]|-2.98|<0.01|
|[[:human_genes:T:TYMSOS|TYMSOS]]|-2.72|0.64|
|[[:human_genes:R:RPS17L|RPS17L]]|-2.50|0.40|
|[[:human_genes:F:FDFT1|FDFT1]]|-2.47|0.14|
|[[:human_genes:R:RCOR1|RCOR1]]|-2.35|0.19|
|[[:human_genes:K:KRTAP10-7|KRTAP10-7]]|-2.35|0.19|
|[[:human_genes:M:MANF|MANF]]|-2.29|0.19|
|[[:human_genes:P:PRR23C|PRR23C]]|-2.28|0.19|
|[[:human_genes:C:CDK6|CDK6]]|-2.26|0.19|
|[[:human_genes:R:RNF7|RNF7]]|-2.22|0.19|
|[[:human_genes:E:ERCC2|ERCC2]]|-2.22|0.62|
|[[:human_genes:A:ACAT2|ACAT2]]|-2.21|0.19|
|[[:human_genes:S:SNX27|SNX27]]|-2.21|0.19|
|[[:human_genes:B:BRD1|BRD1]]|-2.16|0.21|
|[[:human_genes:U:UBE2N|UBE2N]]|-2.16|0.21|
|[[:human_genes:R:RPS17|RPS17]]|-2.13|0.33|
|[[:human_genes:T:TCF12|TCF12]]|-2.12|0.33|
|[[:human_genes:E:ELAVL1|ELAVL1]]|-2.11|0.26|
|[[:human_genes:F:FGF8|FGF8]]|-2.10|0.26|
|[[:human_genes:D:DHCR7|DHCR7]]|-2.06|0.31|
|[[:human_genes:C:CHP1|CHP1]]|-2.06|0.40|
|[[:human_genes:F:FDPS|FDPS]]|-2.06|0.49|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-2.04|0.33|
|[[:human_genes:A:ATP6AP1|ATP6AP1]]|-2.03|0.73|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-2.01|0.33|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.00|0.33|
|[[:human_genes:Z:ZNF90|ZNF90]]|-1.97|0.37|
|[[:human_genes:G:GP1BA|GP1BA]]|-1.97|0.46|
|[[:human_genes:P:PLIN2|PLIN2]]|-1.95|0.48|
|[[:human_genes:S:STX17|STX17]]|1.92|0.55|
|[[:human_genes:M:MARCH3|MARCH3]]|1.93|0.53|
|[[:human_genes:Z:ZNF830|ZNF830]]|1.94|0.54|
|[[:human_genes:A:ATP6AP2|ATP6AP2]]|1.95|0.59|
|[[:human_genes:P:PRKAA1|PRKAA1]]|1.95|0.53|
|[[:human_genes:T:TTL|TTL]]|1.97|0.53|
|[[:human_genes:E:EIF3J|EIF3J]]|2.00|0.64|
|[[:human_genes:E:EPRS|EPRS]]|2.03|0.59|
|[[:human_genes:P:POGZ|POGZ]]|2.04|0.53|
|[[:human_genes:O:OPTN|OPTN]]|2.05|0.53|
|[[:human_genes:N:NFE2L2|NFE2L2]]|2.06|0.53|
|[[:human_genes:B:BNC1|BNC1]]|2.08|0.53|
|[[:human_genes:G:GMPPA|GMPPA]]|2.09|0.53|
|[[:human_genes:F:FAM13A|FAM13A]]|2.11|0.41|
|[[:human_genes:K:KANSL1|KANSL1]]|2.12|0.53|
|[[:human_genes:E:ETF1|ETF1]]|2.13|0.55|
|[[:human_genes:T:TFEB|TFEB]]|2.13|0.41|
|[[:human_genes:N:NPRL3|NPRL3]]|2.18|0.59|
|[[:human_genes:C:CALML6|CALML6]]|2.20|0.38|
|[[:human_genes:L:LNPEP|LNPEP]]|2.22|0.38|
|[[:human_genes:R:RSPO2|RSPO2]]|2.23|0.41|
|[[:human_genes:R:RNF113A|RNF113A]]|2.24|0.53|
|[[:human_genes:S:SZT2|SZT2]]|2.25|0.38|
|[[:human_genes:Z:ZNF607|ZNF607]]|2.31|0.38|
|[[:human_genes:K:KIAA0947|KIAA0947]]|2.31|0.53|
|[[:human_genes:C:CHAF1A|CHAF1A]]|2.32|0.53|
|[[:human_genes:N:NUP160|NUP160]]|2.42|0.53|
|[[:human_genes:O:OR51Q1|OR51Q1]]|2.45|0.41|
|[[:human_genes:S:SRSF7|SRSF7]]|2.48|0.38|
|[[:human_genes:C:C2orf61|C2orf61]]|2.53|0.38|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.077|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp452|Azithromycin 100μM R08 exp452]]|0.076|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp124|GSK343 3μM R03 exp124]]|0.076|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.064|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp151|SGC0946 7μM R03 exp151]]|0.06|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.059|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.059|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp341|BRD2 inhibitor II 20μM R07 exp341]]|0.057|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp433|LJH685 50μM R08 exp433]]|0.052|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.051|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.051|<button type="primary" size="small" modal="11">View</button>|
</modal>


<modal id="1" size="lg" title="NN-Dimethylsphingosine 2.5μM R08 exp508  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp508.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Azithromycin 100μM R08 exp452  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp452.png?nolink |}}
</modal>

<modal id="3" size="lg" title="GSK343 3μM R03 exp124  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp124_vs_exp155.png?nolink |}}
</modal>

<modal id="4" size="lg" title="EPZ-5676 30μM R05 exp233  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp233.png?nolink |}}
</modal>

<modal id="5" size="lg" title="SGC0946 7μM R03 exp151  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp151_vs_exp155.png?nolink |}}
</modal>

<modal id="6" size="lg" title="FTY720 3μM R08 exp483  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp483.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Thioridazine 5μM R08 exp530  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp530.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BRD2 inhibitor II 20μM R07 exp341  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp341.png?nolink |}}
</modal>

<modal id="9" size="lg" title="LJH685 50μM R08 exp433  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp433.png?nolink |}}
</modal>

<modal id="10" size="lg" title="BS-181 20μM R08 exp461  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp461.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Chlorpromazine 10μM R07 exp344  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp344.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|myeloid cell development|44.28|ERCC2,BRD1,ATP6AP1,FLVCR1,GP1BA|
|erythrocyte homeostasis|30.95|RCOR1,ERCC2,BRD1,RPS17,FLVCR1|
|erythrocyte differentiation|27.13|RCOR1,ERCC2,BRD1,FLVCR1|
|myeloid cell homeostasis|24.34|RCOR1,ERCC2,BRD1,RPS17,FLVCR1|
|myeloid cell differentiation|13.66|RCOR1,ERCC2,BRD1,ATP6AP1,FLVCR1,GP1BA|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>