Trimetrexate 0.03μM R08 exp535 [The Human Chemical-Genetic Interaction Map Project]

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====== Trimetrexate 0.03μM R08 exp535 ======
==== Mechanism of Action ====
Inhibits bacterial, protozoan, and mammalian dihydrofolate reductase (DHFR), methotrexate analog
  * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Antimetabolite
  * **<color #00a2e8>Class / Subclass 2:</color>** DNA Damage, Repair and Replication / Replication Inhibitor
  * **<color #00a2e8>Class / Subclass 3:</color>** Infectious Disease / Antibiotic


==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Trimetrexate%%
    * **<color #00a2e8>Synonyms:</color>** CI-898
    * **<color #00a2e8>CAS #:</color>** 52128-35-5
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/5583|5583]]
    * **<color #00a2e8>IUPAC:</color>** %%5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
    * **<color #00a2e8>INCHI Key:</color>** NOYPYLRCIDNJJB-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 369.4
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** IKSPCQRETP EGAEAKPWYE PIYLGGVFQL EKGDRLSAEI NRPDYLDFAE
{{:chemogenomics:structures:chem-0339.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-10373
    * **<color #00a2e8>Lot #:</color>** 26413
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C19H23N5O3 370.18737; found 370.18855
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Trimetrexate
    * **<color #00a2e8>Min:</color>** 10.2389; **<color #00a2e8>Max:</color>** 95.5551
{{:chemogenomics:dose_response:dr_592.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |0.0049    |
| IC20  |0.0099    |
| IC30  |0.0160    |
| IC40  |0.0236    |
| IC50  |0.0337    |
| IC60  |0.0481    |
| IC70  |0.0710    |
| IC80  |0.1142    |
| IC90  |0.2333    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 30nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.2
    * **<color #00a2e8>Numbers of reads</color>**: 15252010


==== 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^
|36/71|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Trimetrexate_0.03uM_Round-8_exp535.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='Trimetrexate 0.03μM R08 exp535'>
{{:chemogenomics:cranks_plots:exp535.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:U:UNG|UNG]]|-4.59|0.00|
|[[:human_genes:N:NAA60|NAA60]]|-3.86|0.00|
|[[:human_genes:S:SLC19A1|SLC19A1]]|-3.66|0.00|
|[[:human_genes:S:SLC29A1|SLC29A1]]|-3.57|0.00|
|[[:human_genes:T:TCF4|TCF4]]|-3.41|0.00|
|[[:human_genes:C:CNOT2|CNOT2]]|-3.36|0.00|
|[[:human_genes:R:RIF1|RIF1]]|-3.35|0.00|
|[[:human_genes:C:CDKN2AIP|CDKN2AIP]]|-3.33|0.00|
|[[:human_genes:A:APEX2|APEX2]]|-3.27|0.00|
|[[:human_genes:A:APEX1|APEX1]]|-3.10|0.00|
|[[:human_genes:C:CWC27|CWC27]]|-3.07|0.00|
|[[:human_genes:G:GNA13|GNA13]]|-3.01|<0.01|
|[[:human_genes:M:MSI2|MSI2]]|-2.92|<0.01|
|[[:human_genes:U:UBE3D|UBE3D]]|-2.89|<0.01|
|[[:human_genes:R:RHOA|RHOA]]|-2.84|<0.01|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.75|<0.01|
|[[:human_genes:K:KEAP1|KEAP1]]|-2.75|0.01|
|[[:human_genes:H:HNRNPH1|HNRNPH1]]|-2.69|<0.01|
|[[:human_genes:C:C2orf53|C2orf53]]|-2.62|0.01|
|[[:human_genes:P:PHLPP1|PHLPP1]]|-2.60|0.01|
|[[:human_genes:S:SPI1|SPI1]]|-2.56|0.03|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.55|0.03|
|[[:human_genes:R:RIC8A|RIC8A]]|-2.53|0.01|
|[[:human_genes:B:BEST1|BEST1]]|-2.52|0.01|
|[[:human_genes:G:GTPBP2|GTPBP2]]|-2.50|0.01|
|[[:human_genes:N:NXNL2|NXNL2]]|-2.47|0.02|
|[[:human_genes:P:PKMYT1|PKMYT1]]|-2.44|0.04|
|[[:human_genes:C:C16orf72|C16orf72]]|-2.44|0.07|
|[[:human_genes:D:DHX33|DHX33]]|-2.42|0.07|
|[[:human_genes:F:FPGS|FPGS]]|-2.35|0.05|
|[[:human_genes:C:CYCS|CYCS]]|2.90|<0.01|
|[[:human_genes:S:SSR1|SSR1]]|2.91|<0.01|
|[[:human_genes:C:C7orf26|C7orf26]]|2.95|<0.01|
|[[:human_genes:E:ETFDH|ETFDH]]|3.03|0.00|
|[[:human_genes:T:TAF11|TAF11]]|3.04|<0.01|
|[[:human_genes:S:SEC62|SEC62]]|3.12|<0.01|
|[[:human_genes:N:N6AMT1|N6AMT1]]|3.20|<0.01|
|[[:human_genes:I:INTS10|INTS10]]|3.24|0.00|
|[[:human_genes:S:SOX4|SOX4]]|3.24|<0.01|
|[[:human_genes:C:CD19|CD19]]|3.26|0.00|
|[[:human_genes:M:MLST8|MLST8]]|3.29|0.00|
|[[:human_genes:G:GANAB|GANAB]]|3.37|<0.01|
|[[:human_genes:E:E2F1|E2F1]]|3.42|0.00|
|[[:human_genes:A:ARID4B|ARID4B]]|3.44|0.00|
|[[:human_genes:D:DDX3X|DDX3X]]|3.50|0.00|
|[[:human_genes:A:ASCC3|ASCC3]]|3.50|0.00|
|[[:human_genes:C:CD81|CD81]]|3.61|0.00|
|[[:human_genes:C:CHMP5|CHMP5]]|3.72|0.00|
|[[:human_genes:A:ASUN|ASUN]]|3.84|0.00|
|[[:human_genes:M:MAPKAP1|MAPKAP1]]|3.86|0.00|
|[[:human_genes:S:STUB1|STUB1]]|3.94|0.00|
|[[:human_genes:R:RHOH|RHOH]]|4.02|0.00|
|[[:human_genes:I:IPPK|IPPK]]|4.03|0.00|
|[[:human_genes:P:PDS5B|PDS5B]]|4.10|0.00|
|[[:human_genes:P:PIK3CD|PIK3CD]]|4.16|0.00|
|[[:human_genes:I:ITPK1|ITPK1]]|4.22|0.00|
|[[:human_genes:C:CHIC2|CHIC2]]|4.24|0.00|
|[[:human_genes:P:PGP|PGP]]|4.30|0.00|
|[[:human_genes:T:TMEM185B|TMEM185B]]|4.42|0.00|
|[[:human_genes:A:ABCC4|ABCC4]]|8.43|0.00|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp492|iCRT14 30μM R08 exp492]]|0.073|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.103|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.099|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.099|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.085|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp102|Nifuroxazide 5μM R03 exp102]]|0.084|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.082|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp134|MS023 2μM R03 exp134]]|0.079|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp526|Sulforaphane 9μM R08 exp526 no dilution day6]]|0.079|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp274|Citral 50μM R06 exp274]]|0.077|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.074|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.074|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp525|Sulforaphane 9μM R08 exp525]]|0.074|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp354|Diepoxybutane 3μM R07 exp354]]|0.071|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp78|Pterostilbene 16μM R02 exp78]]|0.07|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.062|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp275|Citral 75μM R06 exp275]]|0.061|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp498|Lead acetate 2000μM R08 exp498 no dilution day6]]|0.058|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.058|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.058|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp447|Amiloride 100μM R08 exp447]]|0.057|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp299|Talazoparib 0.006μM R06 exp299]]|0.057|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp520|Rucaparib 6.5μM R08 exp520]]|0.057|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp30|Rapamycin 10μM R00 exp30]]|0.054|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp264|Arsenate 40μM R06 exp264]]|0.053|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp374|Latrunculin-B 10μM R07 exp374]]|0.053|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp135|MS023 7μM R03 exp135]]|0.053|<button type="primary" size="small" modal="27">View</button>|
|[[:results:exp294|Nutlin-3A 1.6μM R06 exp294]]|0.053|<button type="primary" size="small" modal="28">View</button>|
|[[:results:exp216|Erlotinib 10μM R05 exp216]]|0.053|<button type="primary" size="small" modal="29">View</button>|
|[[:results:exp75|MK-1775 0.32μM R02 exp75]]|0.052|<button type="primary" size="small" modal="30">View</button>|
|[[:results:exp147|Resveratrol 16μM R03 exp147]]|0.051|<button type="primary" size="small" modal="31">View</button>|
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.051|<button type="primary" size="small" modal="32">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.051|<button type="primary" size="small" modal="33">View</button>|
</modal>


<modal id="1" size="lg" title="Trimetrexate 0.03μM R08 exp535  vs  iCRT14 30μM R08 exp492">
{{:chemogenomics:comparison_plots:exp492_vs_exp535.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Aphidicolin 0.4μM R08 exp440  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp440_vs_exp535.png?nolink |}}
</modal>

<modal id="3" size="lg" title="AICAR 240μM R03 exp116  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp116_vs_exp535.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Hippuristanol 0.12μM R08 exp488  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp488_vs_exp535.png?nolink |}}
</modal>

<modal id="5" size="lg" title="MLN-4924 0.2μM R00 exp21  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp21_vs_exp535.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Nifuroxazide 5μM R03 exp102  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp102_vs_exp535.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Olaparib 4μM R08 exp512  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp512_vs_exp535.png?nolink |}}
</modal>

<modal id="8" size="lg" title="MS023 2μM R03 exp134  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp134_vs_exp535.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Sulforaphane 9μM R08 exp526 no dilution day6  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp526_vs_exp535.png?nolink |}}
</modal>

<modal id="10" size="lg" title="Citral 50μM R06 exp274  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp274_vs_exp535.png?nolink |}}
</modal>

<modal id="11" size="lg" title="Hippuristanol 0.12μM R08 exp489 no dilution day6  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp489_vs_exp535.png?nolink |}}
</modal>

<modal id="12" size="lg" title="Ethanol 0.01 R05 exp234  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp234_vs_exp535.png?nolink |}}
</modal>

<modal id="13" size="lg" title="Sulforaphane 9μM R08 exp525  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp525_vs_exp535.png?nolink |}}
</modal>

<modal id="14" size="lg" title="Diepoxybutane 3μM R07 exp354  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp354_vs_exp535.png?nolink |}}
</modal>

<modal id="15" size="lg" title="Pterostilbene 16μM R02 exp78  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp535_vs_exp78.png?nolink |}}
</modal>

<modal id="16" size="lg" title="JQ1 0.8μM R08 exp435  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp435_vs_exp535.png?nolink |}}
</modal>

<modal id="17" size="lg" title="Citral 75μM R06 exp275  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp275_vs_exp535.png?nolink |}}
</modal>

<modal id="18" size="lg" title="Lead acetate 2000μM R08 exp498 no dilution day6  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp498_vs_exp535.png?nolink |}}
</modal>

<modal id="19" size="lg" title="Thimerosal 0.85μM R08 exp529  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp529_vs_exp535.png?nolink |}}
</modal>

<modal id="20" size="lg" title="Quercetin 20μM R08 exp517  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp517_vs_exp535.png?nolink |}}
</modal>

<modal id="21" size="lg" title="Amiloride 100μM R08 exp447  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp447_vs_exp535.png?nolink |}}
</modal>

<modal id="22" size="lg" title="Talazoparib 0.006μM R06 exp299  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp299_vs_exp535.png?nolink |}}
</modal>

<modal id="23" size="lg" title="Rucaparib 6.5μM R08 exp520  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp520_vs_exp535.png?nolink |}}
</modal>

<modal id="24" size="lg" title="Rapamycin 10μM R00 exp30  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp30_vs_exp535.png?nolink |}}
</modal>

<modal id="25" size="lg" title="Arsenate 40μM R06 exp264  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp264_vs_exp535.png?nolink |}}
</modal>

<modal id="26" size="lg" title="Latrunculin-B 10μM R07 exp374  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp374_vs_exp535.png?nolink |}}
</modal>

<modal id="27" size="lg" title="MS023 7μM R03 exp135  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp135_vs_exp535.png?nolink |}}
</modal>

<modal id="28" size="lg" title="Nutlin-3A 1.6μM R06 exp294  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp294_vs_exp535.png?nolink |}}
</modal>

<modal id="29" size="lg" title="Erlotinib 10μM R05 exp216  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp216_vs_exp535.png?nolink |}}
</modal>

<modal id="30" size="lg" title="MK-1775 0.32μM R02 exp75  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp535_vs_exp75.png?nolink |}}
</modal>

<modal id="31" size="lg" title="Resveratrol 16μM R03 exp147  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp147_vs_exp535.png?nolink |}}
</modal>

<modal id="32" size="lg" title="Benzoate 20000μM R08 exp456  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp456_vs_exp535.png?nolink |}}
</modal>

<modal id="33" size="lg" title="B02 10μM R08 exp453  vs  Trimetrexate 0.03μM R08 exp535">
{{:chemogenomics:comparison_plots:exp453_vs_exp535.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|deaminated base DNA N-glycosylase activity|409.11|UNG,APEX1|
|3-5 exonuclease activity|45.46|CNOT2,APEX2,APEX1,CNOT8|
|exonuclease activity, active with either ribo- or deoxyribonucleic acids and producing 5-phosphomonoesters|41.60|CNOT2,APEX2,APEX1,CNOT8|
|exonuclease activity|30.30|CNOT2,APEX2,APEX1,CNOT8|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>