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Ask your administrator if you think this is wrong. ====== 4-Nitroquinoline-1-oxide 0.5μM R08 exp446 ====== ==== Mechanism of Action ==== UV mimetic, metabolized to electrohpile that forms stable quinolone monoadducts * **<color #00a2e8>Class / Subclass 1:</color>** DNA Damage, Repair and Replication / Helix-Distorting Adduct ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%4-Nitroquinoline N-oxide%% * **<color #00a2e8>Synonyms:</color>** N/A * **<color #00a2e8>CAS #:</color>** 56-57-5 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/5955|5955]] * **<color #00a2e8>IUPAC:</color>** %%4-nitro-1-oxidoquinolin-1-ium%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H * **<color #00a2e8>INCHI Key:</color>** YHQDZJICGQWFHK-UHFFFAOYSA-N * **<color #00a2e8>Molecular Weight:</color>** 190.16 * **<color #00a2e8>Canonical SMILES:</color>** C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-] * **<color #00a2e8>Isomeric SMILES:</color>** N/A * **<color #00a2e8>Molecular Formula:</color>** C9H6N2O3 {{:chemogenomics:structures:chem-0257.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Enamine * **<color #00a2e8>Catalog #:</color>** N300-100463 * **<color #00a2e8>Lot #:</color>** R284185 </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C9H6N2O3 191.04512; found 191.04473 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** 4NQO * **<color #00a2e8>Min:</color>** -1.1393; **<color #00a2e8>Max:</color>** 99.8617 {{:chemogenomics:dose_response:dr_495.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |0.2569 | | IC20 |0.3742 | | IC30 |0.4805 | | IC40 |0.5898 | | IC50 |0.7118 | | IC60 |0.8591 | | IC70 |1.0550 | | IC80 |1.3540 | | IC90 |1.9730 | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 08 * **<color #00a2e8>Dose</color>**: 500nM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 3.8 * **<color #00a2e8>Numbers of reads</color>**: 19213659 ==== 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^ |6/3|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/4-Nitroquinoline-1-oxide_0.5uM_Round-8_exp446.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='4-Nitroquinoline-1-oxide 0.5μM R08 exp446'> {{:chemogenomics:cranks_plots:exp446.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:E:ERCC6|ERCC6]]|-3.66|<0.01| |[[:human_genes:U:UVSSA|UVSSA]]|-3.42|<0.01| |[[:human_genes:C:CCDC111|CCDC111]]|-3.23|<0.01| |[[:human_genes:E:ERCC8|ERCC8]]|-3.23|<0.01| |[[:human_genes:S:SCAI|SCAI]]|-3.17|<0.01| |[[:human_genes:G:GTPBP2|GTPBP2]]|-2.70|0.02| |[[:human_genes:N:NRAP|NRAP]]|-2.50|0.08| |[[:human_genes:W:WDR77|WDR77]]|-2.47|0.18| |[[:human_genes:Q:QRICH1|QRICH1]]|-2.42|0.08| |[[:human_genes:C:CHD8|CHD8]]|-2.40|0.08| |[[:human_genes:U:UBE2A|UBE2A]]|-2.35|0.08| |[[:human_genes:X:XPC|XPC]]|-2.35|0.08| |[[:human_genes:P:POLR1B|POLR1B]]|-2.32|0.61| |[[:human_genes:T:TUBGCP3|TUBGCP3]]|-2.31|0.10| |[[:human_genes:F:FSBP|FSBP]]|-2.29|0.19| |[[:human_genes:V:VPS25|VPS25]]|-2.22|0.54| |[[:human_genes:D:DNAJC9|DNAJC9]]|-2.20|0.17| |[[:human_genes:G:GTF2H5|GTF2H5]]|-2.12|0.22| |[[:human_genes:S:SBNO1|SBNO1]]|-2.08|0.47| |[[:human_genes:S:SIVA1|SIVA1]]|-2.06|0.29| |[[:human_genes:K:KPNA3|KPNA3]]|-2.05|0.40| |[[:human_genes:L:LIPH|LIPH]]|-2.05|0.29| |[[:human_genes:P:PARK7|PARK7]]|-2.04|0.29| |[[:human_genes:M:MCM9|MCM9]]|-2.03|0.42| |[[:human_genes:P:PLEKHA2|PLEKHA2]]|-2.03|0.45| |[[:human_genes:U:UBA3|UBA3]]|-2.02|0.46| |[[:human_genes:N:NME5|NME5]]|-2.02|0.30| |[[:human_genes:T:TRMT12|TRMT12]]|-2.01|0.30| |[[:human_genes:U:UHRF1|UHRF1]]|-2.01|0.46| |[[:human_genes:R:REV1|REV1]]|-2.01|0.30| |[[:human_genes:A:AHCYL1|AHCYL1]]|1.91|0.60| |[[:human_genes:R:RPAP1|RPAP1]]|1.91|0.76| |[[:human_genes:M:MTRNR2L3|MTRNR2L3]]|1.92|0.76| |[[:human_genes:S:SNX27|SNX27]]|1.92|0.48| |[[:human_genes:M:MAPK6|MAPK6]]|1.95|0.45| |[[:human_genes:C:CRABP2|CRABP2]]|1.95|0.45| |[[:human_genes:S:SHMT2|SHMT2]]|1.96|0.68| |[[:human_genes:R:RHOH|RHOH]]|1.96|0.54| |[[:human_genes:K:KIAA0930|KIAA0930]]|1.99|0.40| |[[:human_genes:R:RBM19|RBM19]]|2.06|0.68| |[[:human_genes:C:CILP2|CILP2]]|2.08|0.28| |[[:human_genes:O:ODF4|ODF4]]|2.11|0.40| |[[:human_genes:A:ATPIF1|ATPIF1]]|2.12|0.40| |[[:human_genes:R:RPL11|RPL11]]|2.17|0.68| |[[:human_genes:S:SNIP1|SNIP1]]|2.20|0.45| |[[:human_genes:P:PPP5C|PPP5C]]|2.20|0.20| |[[:human_genes:T:TMEM17|TMEM17]]|2.21|0.20| |[[:human_genes:D:DLEC1|DLEC1]]|2.24|0.26| |[[:human_genes:C:CDK13|CDK13]]|2.24|0.26| |[[:human_genes:Z:ZNF224|ZNF224]]|2.25|0.19| |[[:human_genes:M:MAPKAP1|MAPKAP1]]|2.25|0.26| |[[:human_genes:B:BDP1|BDP1]]|2.29|0.19| |[[:human_genes:B:BMP5|BMP5]]|2.32|0.20| |[[:human_genes:C:COQ7|COQ7]]|2.35|0.16| |[[:human_genes:Z:ZNF330|ZNF330]]|2.39|0.19| |[[:human_genes:B:BAK1|BAK1]]|2.45|0.12| |[[:human_genes:R:RPL5|RPL5]]|2.92|0.15| |[[:human_genes:N:NADK|NADK]]|3.43|<0.01| |[[:human_genes:S:SLFN11|SLFN11]]|4.30|<0.01| |[[:human_genes:N:NMRAL1|NMRAL1]]|4.90|<0.01| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp354|Diepoxybutane 3μM R07 exp354]]|0.059|<button type="primary" size="small" modal="1">View</button>| </modal> <modal id="1" size="lg" title="4-Nitroquinoline-1-oxide 0.5μM R08 exp446 vs Diepoxybutane 3μM R07 exp354"> {{:chemogenomics:comparison_plots:exp354_vs_exp446.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms"> ^GO Term^Fold Change^Genes^ |transcription elongation by RNA polymerase I|394.50|ERCC6,GTF2H5| |double-strand break repair via classical nonhomologous end joining|236.70|ERCC6,ERCC8| |transcription-coupled nucleotide-excision repair|197.25|ERCC6,UVSSA,ERCC8| |rRNA transcription|84.54|ERCC6,POLR1B,GTF2H5| |transcription by RNA polymerase I|65.75|ERCC6,POLR1B,GTF2H5| |nucleotide-excision repair|51.01|ERCC6,UVSSA,ERCC8,XPC,GTF2H5| |small molecule sensor activity|47.98|XPC,PARK7,UHRF1| |response to UV|24.15|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC| |DNA repair|12.62|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC,GTF2H5,PARK7,MCM9,UHRF1| |response to light stimulus|11.72|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC| |response to radiation|10.13|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC,GTF2H5| |DNA damage response|8.31|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC,GTF2H5,PARK7,MCM9,UHRF1| |DNA metabolic process|8.29|ERCC6,UVSSA,PRIMPOL,ERCC8,UBE2A,XPC,GTF2H5,PARK7,MCM9,UHRF1| </modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal> Last modified: 2026/01/15 21:36by 127.0.0.1