====== CI-1040 9.5μM R08 exp472 ======
==== Mechanism of Action ====
Inhibits MEK1, blocks ERK1/2 activation
* **Class / Subclass 1:** Signal Transduction / Kinase Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%2-(2-Chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide%%
* **Synonyms:** PD 184352
* **CAS #:** 212631-79-3
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/6918454|6918454]]
* **IUPAC:** %%2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide%%
* **INCHI Name:** InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
* **INCHI Key:** GFMMXOIFOQCCGU-UHFFFAOYSA-N
* **Molecular Weight:** 478.7
* **Canonical SMILES:** C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
* **Isomeric SMILES:** N/A
* **Molecular Formula:** C17H14ClF2IN2O2
{{:chemogenomics:structures:chem-0281.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-50295
* **Lot #:** 24638
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C17H14ClF2IN2O2 478.98293; found 478.98354
* **Platform ID:** CI1040
* **Min:** -9.8682; **Max:** 82.0211
{{:chemogenomics:dose_response:dr_518.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |5.5050 |
| IC20 |7.5830 |
| IC30 |9.3810 |
| IC40 |11.1700 |
| IC50 |13.1100 |
| IC60 |15.3800 |
| IC70 |18.3200 |
| IC80 |22.6600 |
| IC90 |31.2100 |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 9.5µM
* **Days of incubation**: 8
* **Doublings**: 0.5
* **Numbers of reads**: 13787972
==== 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^
|0/24|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/CI-1040_9.5uM_Round-8_exp472.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp472.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PSMD2|PSMD2]]|-2.95|0.08|
|[[:human_genes:P:POLA1|POLA1]]|-2.85|0.24|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.82|0.09|
|[[:human_genes:G:GTPBP4|GTPBP4]]|-2.80|0.18|
|[[:human_genes:P:PRKAA1|PRKAA1]]|-2.62|0.08|
|[[:human_genes:C:CBX4|CBX4]]|-2.56|0.08|
|[[:human_genes:M:MSI2|MSI2]]|-2.53|0.08|
|[[:human_genes:G:GGA3|GGA3]]|-2.52|0.14|
|[[:human_genes:T:TRIM52|TRIM52]]|-2.41|0.19|
|[[:human_genes:R:RBM39|RBM39]]|-2.39|0.49|
|[[:human_genes:M:MCM5|MCM5]]|-2.38|0.29|
|[[:human_genes:S:SSH2|SSH2]]|-2.35|0.25|
|[[:human_genes:F:FDX1L|FDX1L]]|-2.34|0.25|
|[[:human_genes:N:NUP160|NUP160]]|-2.30|0.41|
|[[:human_genes:R:RBM26|RBM26]]|-2.29|0.24|
|[[:human_genes:T:TCF3|TCF3]]|-2.26|0.28|
|[[:human_genes:B:BRINP3|BRINP3]]|-2.23|0.22|
|[[:human_genes:S:STIL|STIL]]|-2.20|0.25|
|[[:human_genes:P:PCGF1|PCGF1]]|-2.19|0.24|
|[[:human_genes:D:DEPDC5|DEPDC5]]|-2.16|0.27|
|[[:human_genes:G:GPRC5B|GPRC5B]]|-2.15|0.24|
|[[:human_genes:M:MEF2D|MEF2D]]|-2.12|0.28|
|[[:human_genes:S:SMG7|SMG7]]|-2.11|0.28|
|[[:human_genes:B:BCOR|BCOR]]|-2.11|0.25|
|[[:human_genes:D:DDX21|DDX21]]|-2.09|0.53|
|[[:human_genes:P:PAPSS1|PAPSS1]]|-2.08|0.25|
|[[:human_genes:X:XRCC6|XRCC6]]|-2.08|0.29|
|[[:human_genes:Y:YTHDF2|YTHDF2]]|-2.07|0.25|
|[[:human_genes:D:DCK|DCK]]|-2.07|0.25|
|[[:human_genes:T:TINF2|TINF2]]|-2.06|0.39|
|[[:human_genes:U:UBE2G2|UBE2G2]]|2.26|0.08|
|[[:human_genes:A:ATP5J|ATP5J]]|2.28|0.05|
|[[:human_genes:C:C16orf70|C16orf70]]|2.31|0.05|
|[[:human_genes:N:N6AMT1|N6AMT1]]|2.36|0.13|
|[[:human_genes:U:USP16|USP16]]|2.36|0.04|
|[[:human_genes:H:HSPH1|HSPH1]]|2.37|0.04|
|[[:human_genes:G:GFPT1|GFPT1]]|2.38|0.09|
|[[:human_genes:C:CASP9|CASP9]]|2.41|0.03|
|[[:human_genes:C:CYCS|CYCS]]|2.41|0.03|
|[[:human_genes:D:DPAGT1|DPAGT1]]|2.46|0.05|
|[[:human_genes:A:APAF1|APAF1]]|2.47|0.03|
|[[:human_genes:C:CCDC101|CCDC101]]|2.49|0.02|
|[[:human_genes:B:BAK1|BAK1]]|2.54|0.02|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.56|0.02|
|[[:human_genes:M:MARCH5|MARCH5]]|2.57|0.03|
|[[:human_genes:G:GFM1|GFM1]]|2.57|0.05|
|[[:human_genes:H:HCCS|HCCS]]|2.58|0.05|
|[[:human_genes:T:THG1L|THG1L]]|2.59|0.02|
|[[:human_genes:T:TUFM|TUFM]]|2.62|0.03|
|[[:human_genes:I:IBA57|IBA57]]|2.66|0.02|
|[[:human_genes:Y:YARS2|YARS2]]|2.66|0.02|
|[[:human_genes:T:TP53|TP53]]|2.72|0.02|
|[[:human_genes:D:DOHH|DOHH]]|2.78|0.02|
|[[:human_genes:E:ENY2|ENY2]]|2.79|0.02|
|[[:human_genes:A:ATP5B|ATP5B]]|2.84|<0.01|
|[[:human_genes:A:ATP5C1|ATP5C1]]|2.85|<0.01|
|[[:human_genes:N:NSD1|NSD1]]|2.90|0.02|
|[[:human_genes:R:RPTOR|RPTOR]]|3.00|<0.01|
|[[:human_genes:P:PLAA|PLAA]]|3.19|<0.01|
|[[:human_genes:F:FBXO11|FBXO11]]|3.33|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.131||
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.13||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.125||
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.121||
|[[:results:exp441|GSK-J4 1.5μM R08 exp441]]|0.119||
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.112||
|[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.109||
|[[:results:exp34|Rotenone 20μM R00 exp34]]|0.101||
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.096||
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.089||
|[[:results:exp532|TIC10 10μM R08 exp532]]|0.089||
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.085||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.085||
|[[:results:exp350|Deferoxamine 11μM R07 exp350]]|0.082||
|[[:results:exp22|MLN-4924 2μM R00 exp22]]|0.08||
|[[:results:exp135|MS023 7μM R03 exp135]]|0.079||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.079||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.077||
|[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.073||
|[[:results:exp126|GSK461364A 0.1μM R03 exp126]]|0.073||
|[[:results:exp19|Etoposide 1μM R00 exp19]]|0.072||
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.07||
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.067||
|[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.066||
|[[:results:exp329|Hydroxyurea 100μM R07 exp329]]|0.065||
|[[:results:exp108|Vinblastine 0.2μM R03 exp108]]|0.063||
|[[:results:exp354|Diepoxybutane 3μM R07 exp354]]|0.062||
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.061||
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.06||
|[[:results:exp93|DABN racemic mixture R03 exp93]]|0.059||
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.059||
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.053||
|[[:results:exp513|ONC212 0.15μM R08 exp513]]|0.051||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.133||
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.132||
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.13||
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.126||
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.119||
|[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.11||
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.101||
|[[:results:exp539|42°C R08 exp539]]|0.099||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.081||
|[[:results:exp448|Ammonium tetrathiomolybdate 10μM R08 exp448]]|0.077||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.07||
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.068||
|[[:results:exp96|BI-2536 0.02μM R03 exp96]]|0.053||
{{:chemogenomics:comparison_plots:exp472_vs_exp527.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp478.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp503.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp515.png?nolink |}}
{{:chemogenomics:comparison_plots:exp441_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp531.png?nolink |}}
{{:chemogenomics:comparison_plots:exp28_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp34_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp199_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp532.png?nolink |}}
{{:chemogenomics:comparison_plots:exp106_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp488.png?nolink |}}
{{:chemogenomics:comparison_plots:exp350_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp22_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp135_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp489.png?nolink |}}
{{:chemogenomics:comparison_plots:exp443_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp126_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp19_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp512.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp85.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp474.png?nolink |}}
{{:chemogenomics:comparison_plots:exp329_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp108_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp354_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp524.png?nolink |}}
{{:chemogenomics:comparison_plots:exp435_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp93.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp517.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp485.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp513.png?nolink |}}
{{:chemogenomics:comparison_plots:exp451_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp2_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp456_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp440_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp459_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp3_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp259_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp539.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp448_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp450_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp116_vs_exp472.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp96.png?nolink |}}
No GO term hits below threshold. (FDR <0.05)
^GO Term^Fold Change^Genes^
|apoptosome|552.30|APAF1,CASP9|
|activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c|331.38|APAF1,CYCS,CASP9|
|mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1)|276.15|ATP5F1C,ATP5F1B|
|glial cell apoptotic process|276.15|TP53,CASP9|
|proton-transporting ATP synthase complex, catalytic core F(1)|220.92|ATP5F1C,ATP5F1B|
|regulation of pentose-phosphate shunt|184.10|RPTOR,TP53|
|proton-transporting ATP synthase activity, rotational mechanism|118.35|ATP5F1C,ATP5F1B,ATP5PF|
|mitochondrial proton-transporting ATP synthase complex|110.46|ATP5F1C,ATP5F1B,ATP5PF|
|proton-transporting ATP synthase complex|103.56|ATP5F1C,ATP5F1B,ATP5PF|
|proton channel activity|75.31|ATP5F1C,ATP5F1B,ATP5PF|
|intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress|50.21|TP53,BAK1,APAF1|
|transcription initiation-coupled chromatin remodeling|44.78|TP53,SGF29,N6AMT1|
|oxidative phosphorylation|22.32|ATP5F1C,ATP5F1B,CYCS,ATP5PF|
|intrinsic apoptotic signaling pathway|17.26|TP53,BAK1,APAF1,CYCS,CASP9|
|energy derivation by oxidation of organic compounds|14.16|ATP5F1C,ATP5F1B,TP53,CYCS,GFPT1,ATP5PF|
|response to endoplasmic reticulum stress|12.27|TP53,MBTPS2,BAK1,APAF1,UBE2G2|
|mitochondrial matrix|8.16|ATP5F1C,ATP5F1B,TP53,YARS2,IBA57,TUFM,GFM1|
|mitochondrial membrane|7.05|ATP5F1C,ATP5F1B,TUFM,THG1L,HCCS,MARCHF5,BAK1,CYCS,ATP5PF|
|mitochondrial envelope|6.62|ATP5F1C,ATP5F1B,TUFM,THG1L,HCCS,MARCHF5,BAK1,CYCS,ATP5PF|