A-395N 10μM R05 exp219 [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.
====== A-395N 10μM R05 exp219 ======
==== Mechanism of Action ====
Inactive analog of A-395 EED 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>** %%(3S,4R)-1-Benzyl-N,N-dimethyl-4-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)pyrrolidin-3-amine%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 2096983-62-7
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/123132222|123132222]]
    * **<color #00a2e8>IUPAC:</color>** %%(3S,4R)-1-benzyl-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** VEABDKBNQNHHCB-BJKOFHAPSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 442.6
    * **<color #00a2e8>Canonical SMILES:</color>** CN(C)C1CN(CC1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=CC=C4
    * **<color #00a2e8>Isomeric SMILES:</color>** CN(C)[C@@H]1CN(C[C@H]1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=CC=C4
    * **<color #00a2e8>Molecular Formula:</color>** C24H34N4O2S
{{:chemogenomics:structures:chem-0125.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 C24H34N4O2S 443.24752; found 443.24819
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** A395N
    * **<color #00a2e8>Min:</color>** -0.0177; **<color #00a2e8>Max:</color>** 13.6402
{{:chemogenomics:dose_response:dr_66.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.1
    * **<color #00a2e8>Numbers of reads</color>**: 15266833


==== 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/A-395N_10uM_Round-5_exp219.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="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='A-395N 10μM R05 exp219'>
{{:chemogenomics:cranks_plots:exp219.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:L:LRP8|LRP8]]|-3.48|<0.01|
|[[:human_genes:V:VEZT|VEZT]]|-2.89|0.02|
|[[:human_genes:S:SCLY|SCLY]]|-2.58|0.14|
|[[:human_genes:H:HIGD1A|HIGD1A]]|-2.52|0.11|
|[[:human_genes:S:SPCS1|SPCS1]]|-2.43|0.26|
|[[:human_genes:K:KRTAP10-4|KRTAP10-4]]|-2.42|0.41|
|[[:human_genes:S:SEPSECS|SEPSECS]]|-2.40|0.26|
|[[:human_genes:S:SPATA19|SPATA19]]|-2.40|0.14|
|[[:human_genes:R:RIF1|RIF1]]|-2.35|0.26|
|[[:human_genes:G:GCLC|GCLC]]|-2.32|0.26|
|[[:human_genes:C:CSK|CSK]]|-2.23|0.31|
|[[:human_genes:M:MOCS3|MOCS3]]|-2.22|0.26|
|[[:human_genes:T:TIMM22|TIMM22]]|-2.18|0.26|
|[[:human_genes:H:HAUS8|HAUS8]]|-2.13|0.26|
|[[:human_genes:G:GGTLC2|GGTLC2]]|-2.13|0.26|
|[[:human_genes:P:PEX7|PEX7]]|-2.12|0.26|
|[[:human_genes:Z:ZC3H13|ZC3H13]]|-2.11|0.31|
|[[:human_genes:S:SNF8|SNF8]]|-2.09|0.31|
|[[:human_genes:K:KIAA1432|KIAA1432]]|-2.09|0.26|
|[[:human_genes:A:AHCY|AHCY]]|-2.08|0.31|
|[[:human_genes:S:SREK1|SREK1]]|-2.08|0.26|
|[[:human_genes:A:ATP5SL|ATP5SL]]|-2.08|0.26|
|[[:human_genes:N:NPRL3|NPRL3]]|-2.08|0.41|
|[[:human_genes:G:GCLM|GCLM]]|-2.07|0.26|
|[[:human_genes:S:STT3A|STT3A]]|-2.06|0.41|
|[[:human_genes:I:IRX4|IRX4]]|-2.05|0.26|
|[[:human_genes:M:MORN3|MORN3]]|-2.05|0.26|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.02|0.34|
|[[:human_genes:M:MCM8|MCM8]]|-2.00|0.31|
|[[:human_genes:C:C15orf41|C15orf41]]|-1.99|0.31|
|[[:human_genes:S:SLC9C2|SLC9C2]]|1.99|0.43|
|[[:human_genes:P:PKDREJ|PKDREJ]]|2.01|0.43|
|[[:human_genes:P:PLN|PLN]]|2.03|0.73|
|[[:human_genes:C:COPB1|COPB1]]|2.05|0.63|
|[[:human_genes:P:PRR3|PRR3]]|2.09|0.40|
|[[:human_genes:F:FABP9|FABP9]]|2.10|0.43|
|[[:human_genes:K:KCNA6|KCNA6]]|2.10|0.43|
|[[:human_genes:M:MUC7|MUC7]]|2.11|0.40|
|[[:human_genes:K:KIF13B|KIF13B]]|2.12|0.43|
|[[:human_genes:R:RBM39|RBM39]]|2.13|0.70|
|[[:human_genes:C:COBLL1|COBLL1]]|2.14|0.43|
|[[:human_genes:P:PSMD7|PSMD7]]|2.14|0.61|
|[[:human_genes:A:ALKBH2|ALKBH2]]|2.16|0.40|
|[[:human_genes:Z:ZSCAN12|ZSCAN12]]|2.17|0.77|
|[[:human_genes:E:EXOSC3|EXOSC3]]|2.17|0.43|
|[[:human_genes:P:PCNA|PCNA]]|2.21|0.65|
|[[:human_genes:U:UMPS|UMPS]]|2.23|0.74|
|[[:human_genes:P:POLR2D|POLR2D]]|2.23|0.40|
|[[:human_genes:H:HMGB1|HMGB1]]|2.25|0.40|
|[[:human_genes:N:NDC80|NDC80]]|2.27|0.63|
|[[:human_genes:X:XAB2|XAB2]]|2.34|0.72|
|[[:human_genes:P:PPRC1|PPRC1]]|2.34|0.40|
|[[:human_genes:K:KRTAP10-6|KRTAP10-6]]|2.36|0.45|
|[[:human_genes:C:COX4I2|COX4I2]]|2.39|0.40|
|[[:human_genes:N:NEFM|NEFM]]|2.42|0.40|
|[[:human_genes:R:RRM2|RRM2]]|2.53|0.65|
|[[:human_genes:D:DNA2|DNA2]]|2.54|0.46|
|[[:human_genes:C:CSNK1A1|CSNK1A1]]|2.67|0.40|
|[[:human_genes:C:C12orf75|C12orf75]]|2.69|0.40|
|[[:human_genes:D:DHX37|DHX37]]|2.79|0.40|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp437|Ethanol 0.003 R08 exp437]]|0.073|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp237|NN-Diethyl-meta-toluamide 100μM R05 exp237]]|0.052|<button type="primary" size="small" modal="2">View</button>|
</modal>


<modal id="1" size="lg" title="A-395N 10μM R05 exp219  vs  Ethanol 0.003 R08 exp437">
{{:chemogenomics:comparison_plots:exp219_vs_exp437.png?nolink |}}
</modal>

<modal id="2" size="lg" title="A-395N 10μM R05 exp219  vs  NN-Diethyl-meta-toluamide 100μM R05 exp237">
{{:chemogenomics:comparison_plots:exp219_vs_exp237.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">No GO term hits below threshold. (FDR <0.05)</modal>