NFN1 0.4μM R03 exp99 [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.
====== NFN1 0.4μM R03 exp99 ======
==== 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 |}}
\\ 
\\ 
\\ 
\\ 
|< 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>**: 400nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.7
    * **<color #00a2e8>Numbers of reads</color>**: 10101237


==== 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_0.4uM_Round-3_exp99.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 0.4μM R03 exp99'>
{{:chemogenomics:cranks_plots:exp99.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PNKP|PNKP]]|-2.91|0.26|
|[[:human_genes:P:PUS7|PUS7]]|-2.61|0.26|
|[[:human_genes:M:MCM9|MCM9]]|-2.55|0.26|
|[[:human_genes:T:TYMSOS|TYMSOS]]|-2.38|0.76|
|[[:human_genes:Z:ZBTB45|ZBTB45]]|-2.30|0.31|
|[[:human_genes:A:ALDH18A1|ALDH18A1]]|-2.28|0.27|
|[[:human_genes:M:MED1|MED1]]|-2.26|0.60|
|[[:human_genes:C:C10orf68|C10orf68]]|-2.25|0.27|
|[[:human_genes:T:TLX3|TLX3]]|-2.25|0.27|
|[[:human_genes:S:SH3D21|SH3D21]]|-2.23|0.27|
|[[:human_genes:K:KCNS2|KCNS2]]|-2.21|0.36|
|[[:human_genes:T:TIMM22|TIMM22]]|-2.20|0.36|
|[[:human_genes:K:KDSR|KDSR]]|-2.16|0.31|
|[[:human_genes:P:PTPMT1|PTPMT1]]|-2.15|0.64|
|[[:human_genes:C:CDK1|CDK1]]|-2.11|0.70|
|[[:human_genes:P:PRR23B|PRR23B]]|-2.08|0.36|
|[[:human_genes:M:MAD2L2|MAD2L2]]|-2.07|0.36|
|[[:human_genes:V:VEZT|VEZT]]|-2.03|0.51|
|[[:human_genes:N:NAA10|NAA10]]|-2.03|0.64|
|[[:human_genes:E:ENO1|ENO1]]|-2.03|0.64|
|[[:human_genes:S:SEPT12|SEPT12]]|-2.02|0.43|
|[[:human_genes:A:ALG8|ALG8]]|-2.01|0.43|
|[[:human_genes:U:UBE2N|UBE2N]]|-2.00|0.43|
|[[:human_genes:M:MAP7D2|MAP7D2]]|-1.99|0.57|
|[[:human_genes:G:GSS|GSS]]|-1.97|0.48|
|[[:human_genes:C:CARM1|CARM1]]|-1.96|0.48|
|[[:human_genes:P:PSMB8|PSMB8]]|-1.94|0.51|
|[[:human_genes:A:APOA1|APOA1]]|-1.93|0.51|
|[[:human_genes:T:THUMPD1|THUMPD1]]|-1.90|0.64|
|[[:human_genes:M:MST1L|MST1L]]|-1.88|0.64|
|[[:human_genes:A:AURKA|AURKA]]|1.89|0.62|
|[[:human_genes:U:ULBP2|ULBP2]]|1.89|0.62|
|[[:human_genes:V:VDR|VDR]]|1.91|0.62|
|[[:human_genes:G:GPR112|GPR112]]|1.92|0.62|
|[[:human_genes:J:JMY|JMY]]|1.92|0.62|
|[[:human_genes:L:LNP1|LNP1]]|1.92|0.62|
|[[:human_genes:F:FBXO5|FBXO5]]|1.92|0.62|
|[[:human_genes:S:SEC24B|SEC24B]]|1.93|0.62|
|[[:human_genes:D:DNAJC10|DNAJC10]]|1.94|0.62|
|[[:human_genes:C:CDKL3|CDKL3]]|1.94|0.62|
|[[:human_genes:E:ERAP1|ERAP1]]|1.96|0.62|
|[[:human_genes:E:EMP2|EMP2]]|1.98|0.62|
|[[:human_genes:S:SLC25A27|SLC25A27]]|1.99|0.62|
|[[:human_genes:P:PLXDC1|PLXDC1]]|1.99|0.62|
|[[:human_genes:P:PPP2R5B|PPP2R5B]]|2.04|0.62|
|[[:human_genes:C:COPZ1|COPZ1]]|2.09|0.62|
|[[:human_genes:M:MKL2|MKL2]]|2.11|0.55|
|[[:human_genes:H:HIST1H4L|HIST1H4L]]|2.12|0.62|
|[[:human_genes:S:SRGAP2C|SRGAP2C]]|2.14|0.64|
|[[:human_genes:F:FBXL19|FBXL19]]|2.23|0.62|
|[[:human_genes:K:KREMEN1|KREMEN1]]|2.24|0.31|
|[[:human_genes:P:PSMD7|PSMD7]]|2.24|0.62|
|[[:human_genes:H:HIP1|HIP1]]|2.27|0.31|
|[[:human_genes:N:NFS1|NFS1]]|2.28|0.62|
|[[:human_genes:N:NUP62CL|NUP62CL]]|2.36|0.26|
|[[:human_genes:C:CD52|CD52]]|2.48|0.26|
|[[:human_genes:R:RPL30|RPL30]]|2.53|0.62|
|[[:human_genes:K:KLHL41|KLHL41]]|2.61|0.17|
|[[:human_genes:O:OR10G3|OR10G3]]|2.69|0.17|
|[[:human_genes:C:CCDC18|CCDC18]]|3.14|0.62|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp100|NFN1 1μM R03 exp100]]|0.052|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" 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">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>