====== NFN1 0.1μM R01 exp49 ======
==== 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>**: 01
    * **<color #00a2e8>Dose</color>**: 100nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.7
    * **<color #00a2e8>Numbers of reads</color>**: 12398986


==== 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^
|0/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/NFN1_0.1uM_Round-1_exp49.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='NFN1 0.1μM R01 exp49'>
{{:chemogenomics:cranks_plots:exp49.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:N:NSMCE1|NSMCE1]]|-3.03|0.14|
|[[:human_genes:V:VEZT|VEZT]]|-2.70|0.12|
|[[:human_genes:U:UBA3|UBA3]]|-2.52|0.71|
|[[:human_genes:G:GOLT1B|GOLT1B]]|-2.48|0.14|
|[[:human_genes:P:PAFAH1B2|PAFAH1B2]]|-2.47|0.35|
|[[:human_genes:Z:ZCRB1|ZCRB1]]|-2.44|0.35|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.44|0.54|
|[[:human_genes:E:ERCC2|ERCC2]]|-2.43|0.54|
|[[:human_genes:C:CXorf67|CXorf67]]|-2.42|0.35|
|[[:human_genes:T:TTC37|TTC37]]|-2.41|0.68|
|[[:human_genes:N:NFU1|NFU1]]|-2.35|0.35|
|[[:human_genes:S:SERPINI2|SERPINI2]]|-2.27|0.35|
|[[:human_genes:E:ETV5|ETV5]]|-2.26|0.54|
|[[:human_genes:A:ATRX|ATRX]]|-2.23|0.71|
|[[:human_genes:C:C1orf131|C1orf131]]|-2.20|0.71|
|[[:human_genes:S:SRP14|SRP14]]|-2.20|0.35|
|[[:human_genes:D:DBR1|DBR1]]|-2.19|0.68|
|[[:human_genes:G:GKAP1|GKAP1]]|-2.17|0.76|
|[[:human_genes:D:DAAM1|DAAM1]]|-2.16|0.71|
|[[:human_genes:N:NRDE2|NRDE2]]|-2.16|0.77|
|[[:human_genes:E:ENOPH1|ENOPH1]]|-2.15|0.71|
|[[:human_genes:S:SLC30A4|SLC30A4]]|-2.13|0.54|
|[[:human_genes:L:LPXN|LPXN]]|-2.10|0.71|
|[[:human_genes:F:FNDC9|FNDC9]]|-2.10|0.71|
|[[:human_genes:E:ETV7|ETV7]]|-2.09|0.68|
|[[:human_genes:R:RBX1|RBX1]]|-2.07|0.71|
|[[:human_genes:M:MSH3|MSH3]]|-2.06|0.71|
|[[:human_genes:Z:ZNF711|ZNF711]]|-2.06|0.71|
|[[:human_genes:K:KIF2A|KIF2A]]|-2.05|0.68|
|[[:human_genes:K:KCTD5|KCTD5]]|-2.05|0.71|
|[[:human_genes:P:PLEKHB1|PLEKHB1]]|2.12|0.69|
|[[:human_genes:R:RRP15|RRP15]]|2.12|0.69|
|[[:human_genes:N:NUP155|NUP155]]|2.12|0.69|
|[[:human_genes:F:FAM160A1|FAM160A1]]|2.15|0.69|
|[[:human_genes:C:CHGA|CHGA]]|2.15|0.69|
|[[:human_genes:M:MCF2L|MCF2L]]|2.15|0.69|
|[[:human_genes:P:PDS5B|PDS5B]]|2.16|0.69|
|[[:human_genes:P:PSMD3|PSMD3]]|2.17|0.69|
|[[:human_genes:M:MYO7B|MYO7B]]|2.19|0.48|
|[[:human_genes:Z:ZC3H4|ZC3H4]]|2.19|0.69|
|[[:human_genes:F:FRZB|FRZB]]|2.19|0.48|
|[[:human_genes:P:PUM1|PUM1]]|2.20|0.48|
|[[:human_genes:R:RUFY3|RUFY3]]|2.24|0.69|
|[[:human_genes:U:UBE2Q2L|UBE2Q2L]]|2.24|0.70|
|[[:human_genes:A:ALMS1|ALMS1]]|2.24|0.69|
|[[:human_genes:C:CCNA2|CCNA2]]|2.25|0.69|
|[[:human_genes:T:TRIM34|TRIM34]]|2.31|0.48|
|[[:human_genes:B:BRI3BP|BRI3BP]]|2.35|0.48|
|[[:human_genes:I:IER3IP1|IER3IP1]]|2.36|0.69|
|[[:human_genes:P:PI3|PI3]]|2.36|0.47|
|[[:human_genes:P:PSMA6|PSMA6]]|2.37|0.67|
|[[:human_genes:I:IGFN1|IGFN1]]|2.37|0.48|
|[[:human_genes:P:PSMD14|PSMD14]]|2.37|0.69|
|[[:human_genes:Z:ZNF219|ZNF219]]|2.39|0.48|
|[[:human_genes:M:MFI2|MFI2]]|2.45|0.56|
|[[:human_genes:P:PHYH|PHYH]]|2.48|0.48|
|[[:human_genes:P:POLA2|POLA2]]|2.55|0.67|
|[[:human_genes:M:MARVELD1|MARVELD1]]|2.58|0.69|
|[[:human_genes:Z:ZNF276|ZNF276]]|2.72|0.48|
|[[:human_genes:N:NOP2|NOP2]]|3.19|0.47|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp61|YM155 0.0002μM R01 exp61]]|0.063|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp51|Nifuroxazide 1μM R01 exp51]]|0.063|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp58|UM131593 0.1μM R01 exp58]]|0.062|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp54|Taxol 0.002μM R01 exp54]]|0.06|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp53|Suberoylanilide-Hydroxamic-Acid 0.02μM R01 exp53]]|0.054|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp40|2-Methoxyestradiol 0.2μM R01 exp40]]|0.085|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp41|BI-2536 0.001μM R01 exp41]]|0.07|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.054|<button type="primary" size="small" modal="8">View</button>|
</modal>


<modal id="1" size="lg" title="NFN1 0.1μM R01 exp49  vs  YM155 0.0002μM R01 exp61">
{{:chemogenomics:comparison_plots:exp49_vs_exp61.png?nolink |}}
</modal>

<modal id="2" size="lg" title="NFN1 0.1μM R01 exp49  vs  Nifuroxazide 1μM R01 exp51">
{{:chemogenomics:comparison_plots:exp49_vs_exp51.png?nolink |}}
</modal>

<modal id="3" size="lg" title="NFN1 0.1μM R01 exp49  vs  UM131593 0.1μM R01 exp58">
{{:chemogenomics:comparison_plots:exp49_vs_exp58.png?nolink |}}
</modal>

<modal id="4" size="lg" title="NFN1 0.1μM R01 exp49  vs  Taxol 0.002μM R01 exp54">
{{:chemogenomics:comparison_plots:exp49_vs_exp54.png?nolink |}}
</modal>

<modal id="5" size="lg" title="NFN1 0.1μM R01 exp49  vs  Suberoylanilide-Hydroxamic-Acid 0.02μM R01 exp53">
{{:chemogenomics:comparison_plots:exp49_vs_exp53.png?nolink |}}
</modal>

<modal id="6" size="lg" title="2-Methoxyestradiol 0.2μM R01 exp40  vs  NFN1 0.1μM R01 exp49">
{{:chemogenomics:comparison_plots:exp40_vs_exp49.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BI-2536 0.001μM R01 exp41  vs  NFN1 0.1μM R01 exp49">
{{:chemogenomics:comparison_plots:exp41_vs_exp49.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Lapatinib 5μM R01 exp47  vs  NFN1 0.1μM R01 exp49">
{{:chemogenomics:comparison_plots:exp47_vs_exp49.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>