NFN1 1μM R03 exp100 [The Human Chemical-Genetic Interaction Map Project]

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====== NFN1 1μM R03 exp100 ======
==== Mechanism of Action ====
Nitrofuran derivative, candidate ALDH2 inhibitor
  * **<color #00a2e8>Class / Subclass 1:</color>** Infectious Disease / Antibiotic




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Ethyl 5-ethyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 219620-36-7
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/2799305|2799305]]
    * **<color #00a2e8>IUPAC:</color>** %%ethyl 5-ethyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C14H14N2O6S/c1-3-8-7-9(14(18)21-4-2)13(23-8)15-12(17)10-5-6-11(22-10)16(19)20/h5-7H,3-4H2,1-2H3,(H,15,17)
    * **<color #00a2e8>INCHI Key:</color>** OASNGLRREXBINI-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 338.34
    * **<color #00a2e8>Canonical SMILES:</color>** CCC1=CC(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C14H14N2O6S
{{:chemogenomics:structures:chem-0029.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Maybridge
    * **<color #00a2e8>Catalog #:</color>** BTB05727SC
    * **<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 C14H14N2O6S 339.06453; found 339.0634
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** NFN1
    * **<color #00a2e8>Min:</color>** -1.7682; **<color #00a2e8>Max:</color>** 66.1639
{{:chemogenomics:dose_response:dr_100.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.3734    |
| IC30  |1.2393    |
| IC40  |3.3135    |
| IC50  |8.1701    |
| 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>**: 1µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.9
    * **<color #00a2e8>Numbers of reads</color>**: 10917491


==== 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^
|1/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/NFN1_1uM_Round-3_exp100.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='NFN1 1μM R03 exp100'>
{{:chemogenomics:cranks_plots:exp100.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GTPBP2|GTPBP2]]|-3.08|<0.01|
|[[:human_genes:P:PUS7|PUS7]]|-2.76|0.12|
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|-2.72|0.60|
|[[:human_genes:P:PRAMEF26|PRAMEF26]]|-2.70|0.61|
|[[:human_genes:T:TCF4|TCF4]]|-2.45|0.23|
|[[:human_genes:C:CCNC|CCNC]]|-2.40|0.23|
|[[:human_genes:K:KDSR|KDSR]]|-2.33|0.23|
|[[:human_genes:M:MCM9|MCM9]]|-2.32|0.23|
|[[:human_genes:S:SLC12A2|SLC12A2]]|-2.30|0.23|
|[[:human_genes:D:DNAJB11|DNAJB11]]|-2.29|0.23|
|[[:human_genes:M:MNS1|MNS1]]|-2.28|0.51|
|[[:human_genes:A:ASNSD1|ASNSD1]]|-2.28|0.23|
|[[:human_genes:F:FLCN|FLCN]]|-2.25|0.23|
|[[:human_genes:X:XPOT|XPOT]]|-2.24|0.23|
|[[:human_genes:E:ERCC5|ERCC5]]|-2.23|0.23|
|[[:human_genes:R:RTEL1|RTEL1]]|-2.18|0.23|
|[[:human_genes:M:MAD2L2|MAD2L2]]|-2.14|0.23|
|[[:human_genes:T:TRAPPC13|TRAPPC13]]|-2.12|0.23|
|[[:human_genes:A:ACIN1|ACIN1]]|-2.10|0.37|
|[[:human_genes:C:C1orf109|C1orf109]]|-2.09|0.37|
|[[:human_genes:T:TSR3|TSR3]]|-2.07|0.29|
|[[:human_genes:L:LMAN1L|LMAN1L]]|-2.05|0.39|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.04|0.59|
|[[:human_genes:P:PRR21|PRR21]]|-2.01|0.37|
|[[:human_genes:P:PUS3|PUS3]]|-2.00|0.37|
|[[:human_genes:T:TMA16|TMA16]]|-1.99|0.47|
|[[:human_genes:G:GPR107|GPR107]]|-1.99|0.37|
|[[:human_genes:G:GCK|GCK]]|-1.98|0.51|
|[[:human_genes:S:SCAI|SCAI]]|-1.98|0.37|
|[[:human_genes:T:TNIP1|TNIP1]]|-1.94|0.39|
|[[:human_genes:G:GAR1|GAR1]]|1.87|0.67|
|[[:human_genes:A:ATAD2B|ATAD2B]]|1.89|0.67|
|[[:human_genes:A:AGL|AGL]]|1.89|0.67|
|[[:human_genes:N:NDC80|NDC80]]|1.90|0.76|
|[[:human_genes:R:RAPSN|RAPSN]]|1.90|0.67|
|[[:human_genes:K:KRTAP10-9|KRTAP10-9]]|1.91|0.67|
|[[:human_genes:B:BTK|BTK]]|1.92|0.67|
|[[:human_genes:O:OR5T2|OR5T2]]|1.94|0.67|
|[[:human_genes:C:CCDC38|CCDC38]]|1.94|0.67|
|[[:human_genes:A:ARF4|ARF4]]|1.96|0.67|
|[[:human_genes:R:RPL8|RPL8]]|1.96|0.68|
|[[:human_genes:C:CARF|CARF]]|1.98|0.67|
|[[:human_genes:P:PRKCB|PRKCB]]|1.98|0.67|
|[[:human_genes:I:ITPR1|ITPR1]]|2.00|0.67|
|[[:human_genes:G:GART|GART]]|2.06|0.67|
|[[:human_genes:C:CNOT2|CNOT2]]|2.06|0.67|
|[[:human_genes:Z:ZXDB|ZXDB]]|2.06|0.67|
|[[:human_genes:N:NCF4|NCF4]]|2.07|0.67|
|[[:human_genes:T:TOP1MT|TOP1MT]]|2.12|0.67|
|[[:human_genes:R:RNF4|RNF4]]|2.12|0.67|
|[[:human_genes:C:CCDC71L|CCDC71L]]|2.15|0.67|
|[[:human_genes:N:NHP2L1|NHP2L1]]|2.16|0.67|
|[[:human_genes:C:CIB4|CIB4]]|2.17|0.67|
|[[:human_genes:K:KPNB1|KPNB1]]|2.18|0.76|
|[[:human_genes:N:NUS1|NUS1]]|2.20|0.67|
|[[:human_genes:S:STK38|STK38]]|2.23|0.67|
|[[:human_genes:H:HNRNPM|HNRNPM]]|2.26|0.67|
|[[:human_genes:H:HSPA5|HSPA5]]|2.29|0.67|
|[[:human_genes:Z:ZNF845|ZNF845]]|2.57|0.66|
|[[:human_genes:C:COPB2|COPB2]]|2.65|0.67|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp389|PF-06409577 20μM R07 exp389]]|0.069|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp249|Vinorelbine 0.001μM R05 exp249]]|0.051|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp99|NFN1 0.4μM R03 exp99]]|0.052|<button type="primary" size="small" modal="3">View</button>|
</modal>


<modal id="1" size="lg" title="NFN1 1μM R03 exp100  vs  PF-06409577 20μM R07 exp389">
{{:chemogenomics:comparison_plots:exp100_vs_exp389.png?nolink |}}
</modal>

<modal id="2" size="lg" title="NFN1 1μM R03 exp100  vs  Vinorelbine 0.001μM R05 exp249">
{{:chemogenomics:comparison_plots:exp100_vs_exp249.png?nolink |}}
</modal>

<modal id="3" size="lg" title="NFN1 0.4μM R03 exp99  vs  NFN1 1μM R03 exp100">
{{:chemogenomics:comparison_plots:exp100_vs_exp99.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|pseudouridine synthesis|112.53|PUS7,TSR3,PUS3|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>