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Ask your administrator if you think this is wrong. ====== Vemurafenib 6.6μM R02 exp89 ====== ==== Mechanism of Action ==== Inhibits BRAF-V300E, paradoxical RAF activation by stabilization of CRAF/BRAF heterodimer * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%Vemurafenib%% * **<color #00a2e8>Synonyms:</color>** PLX4032; RG7204; RO5185426 * **<color #00a2e8>CAS #:</color>** 918504-65-1 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/42611257|42611257]] * **<color #00a2e8>IUPAC:</color>** %%N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) * **<color #00a2e8>INCHI Key:</color>** GPXBXXGIAQBQNI-UHFFFAOYSA-N * **<color #00a2e8>Molecular Weight:</color>** 489.9 * **<color #00a2e8>Canonical SMILES:</color>** CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F * **<color #00a2e8>Isomeric SMILES:</color>** N/A * **<color #00a2e8>Molecular Formula:</color>** C23H18ClF2N3O3S {{:chemogenomics:structures:chem-0065.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Med Chem Express * **<color #00a2e8>Catalog #:</color>** HY-12057 * **<color #00a2e8>Lot #:</color>** 23749 </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C23H18ClF2N3O3S 490.07982; found 490.0813 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** PLX4032 * **<color #00a2e8>Min:</color>** -1.0206; **<color #00a2e8>Max:</color>** 99.0635 {{:chemogenomics:dose_response:dr_44.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |5.8132 | | IC30 |6.5830 | | IC40 |7.2895 | | IC50 |8.0043 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 02 * **<color #00a2e8>Dose</color>**: 6.6µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 3.8 * **<color #00a2e8>Numbers of reads</color>**: 13787325 ==== 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^ |102/37|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Vemurafenib_6.6uM_Round-2_exp89.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='Vemurafenib 6.6μM R02 exp89'> {{:chemogenomics:cranks_plots:exp89.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:G:GPR107|GPR107]]|-4.88|0.00| |[[:human_genes:V:VKORC1L1|VKORC1L1]]|-4.52|0.00| |[[:human_genes:A:ARL5B|ARL5B]]|-4.37|0.00| |[[:human_genes:A:APBA3|APBA3]]|-4.28|0.00| |[[:human_genes:T:TBC1D23|TBC1D23]]|-4.25|0.00| |[[:human_genes:S:SLC39A9|SLC39A9]]|-4.09|0.00| |[[:human_genes:S:SCAP|SCAP]]|-3.83|0.00| |[[:human_genes:S:SPTLC1|SPTLC1]]|-3.72|0.00| |[[:human_genes:Q:QARS|QARS]]|-3.64|<0.01| |[[:human_genes:M:MTMR6|MTMR6]]|-3.53|0.00| |[[:human_genes:L:LDLR|LDLR]]|-3.44|0.00| |[[:human_genes:T:TM9SF4|TM9SF4]]|-3.42|0.00| |[[:human_genes:P:PI4KB|PI4KB]]|-3.41|0.00| |[[:human_genes:M:METAP1|METAP1]]|-3.32|0.00| |[[:human_genes:R:RALGAPB|RALGAPB]]|-3.24|0.00| |[[:human_genes:A:ACBD3|ACBD3]]|-3.18|<0.01| |[[:human_genes:G:GDI2|GDI2]]|-3.13|0.00| |[[:human_genes:E:EPT1|EPT1]]|-3.10|<0.01| |[[:human_genes:I:IVNS1ABP|IVNS1ABP]]|-3.10|0.00| |[[:human_genes:U:UGCG|UGCG]]|-3.09|0.00| |[[:human_genes:K:KDSR|KDSR]]|-3.07|0.00| |[[:human_genes:P:PDS5B|PDS5B]]|-3.07|0.00| |[[:human_genes:V:VPS29|VPS29]]|-3.06|0.00| |[[:human_genes:Y:YIPF5|YIPF5]]|-3.05|0.00| |[[:human_genes:C:CHKA|CHKA]]|-3.00|0.00| |[[:human_genes:S:SOX4|SOX4]]|-2.98|<0.01| |[[:human_genes:E:ELAVL1|ELAVL1]]|-2.98|0.00| |[[:human_genes:Q:QDPR|QDPR]]|-2.97|0.00| |[[:human_genes:C:CTDNEP1|CTDNEP1]]|-2.97|0.00| |[[:human_genes:C:CCDC22|CCDC22]]|-2.94|0.00| |[[:human_genes:C:C17orf75|C17orf75]]|2.47|0.01| |[[:human_genes:N:NONO|NONO]]|2.52|0.03| |[[:human_genes:R:RPS12|RPS12]]|2.55|0.05| |[[:human_genes:R:RAB8A|RAB8A]]|2.58|0.01| |[[:human_genes:R:R3HDM1|R3HDM1]]|2.61|<0.01| |[[:human_genes:M:MIER3|MIER3]]|2.65|0.01| |[[:human_genes:C:CDK13|CDK13]]|2.70|<0.01| |[[:human_genes:T:TM9SF2|TM9SF2]]|2.70|<0.01| |[[:human_genes:R:RQCD1|RQCD1]]|2.71|0.01| |[[:human_genes:A:ADIPOR1|ADIPOR1]]|2.74|<0.01| |[[:human_genes:R:RBM38|RBM38]]|2.75|<0.01| |[[:human_genes:N:NUDT5|NUDT5]]|2.85|<0.01| |[[:human_genes:C:CLUH|CLUH]]|2.85|<0.01| |[[:human_genes:S:SAR1A|SAR1A]]|2.86|<0.01| |[[:human_genes:F:FDPS|FDPS]]|2.90|0.01| |[[:human_genes:E:ELF1|ELF1]]|2.92|<0.01| |[[:human_genes:A:AGPAT6|AGPAT6]]|3.09|0.00| |[[:human_genes:C:C21orf91|C21orf91]]|3.15|<0.01| |[[:human_genes:C:CHP1|CHP1]]|3.25|0.00| |[[:human_genes:A:ACACA|ACACA]]|3.47|0.00| |[[:human_genes:A:ATP8B2|ATP8B2]]|3.48|<0.01| |[[:human_genes:C:CARM1|CARM1]]|3.50|0.00| |[[:human_genes:M:MBD2|MBD2]]|3.74|0.00| |[[:human_genes:T:TNPO1|TNPO1]]|3.94|0.00| |[[:human_genes:T:TRAPPC9|TRAPPC9]]|4.15|0.00| |[[:human_genes:K:KIAA2013|KIAA2013]]|4.43|0.00| |[[:human_genes:T:TRAPPC10|TRAPPC10]]|4.44|0.00| |[[:human_genes:R:RAB11A|RAB11A]]|4.80|0.00| |[[:human_genes:T:TMEM30A|TMEM30A]]|5.02|0.00| |[[:human_genes:P:PITPNB|PITPNB]]|6.63|0.00| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp434|Vemurafenib 6.6μM R08 exp434]]|0.296|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp90|WYE-354 6μM R02 exp90]]|0.051|<button type="primary" size="small" modal="2">View</button>| |[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.16|<button type="primary" size="small" modal="3">View</button>| |[[:results:exp454|Bafilomycin-A1 0.009μM R08 exp454]]|0.117|<button type="primary" size="small" modal="4">View</button>| |[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.103|<button type="primary" size="small" modal="5">View</button>| |[[:results:exp169|BH1 1μM R04 exp169]]|0.102|<button type="primary" size="small" modal="6">View</button>| |[[:results:exp79|Q15 2.7μM R02 exp79]]|0.101|<button type="primary" size="small" modal="7">View</button>| |[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.074|<button type="primary" size="small" modal="8">View</button>| |[[:results:exp84|UM0125461 0.74μM R02 exp84]]|0.07|<button type="primary" size="small" modal="9">View</button>| |[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.057|<button type="primary" size="small" modal="10">View</button>| |[[:results:exp483|FTY720 3μM R08 exp483]]|0.056|<button type="primary" size="small" modal="11">View</button>| |[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.055|<button type="primary" size="small" modal="12">View</button>| |[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.051|<button type="primary" size="small" modal="13">View</button>| </modal> <modal id="1" size="lg" title="Vemurafenib 6.6μM R02 exp89 vs Vemurafenib 6.6μM R08 exp434"> {{:chemogenomics:comparison_plots:exp434_vs_exp89.png?nolink |}} </modal> <modal id="2" size="lg" title="Vemurafenib 6.6μM R02 exp89 vs WYE-354 6μM R02 exp90"> {{:chemogenomics:comparison_plots:exp89_vs_exp90.png?nolink |}} </modal> <modal id="3" size="lg" title="Clomiphene 4.4μM R02 exp68 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp68_vs_exp89.png?nolink |}} </modal> <modal id="4" size="lg" title="Bafilomycin-A1 0.009μM R08 exp454 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp454_vs_exp89.png?nolink |}} </modal> <modal id="5" size="lg" title="Q15 1 to 2μM on day4 R04 exp164 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp164_vs_exp89.png?nolink |}} </modal> <modal id="6" size="lg" title="BH1 1μM R04 exp169 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp169_vs_exp89.png?nolink |}} </modal> <modal id="7" size="lg" title="Q15 2.7μM R02 exp79 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp79_vs_exp89.png?nolink |}} </modal> <modal id="8" size="lg" title="Tubacin 1.6μM R07 exp416 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp416_vs_exp89.png?nolink |}} </modal> <modal id="9" size="lg" title="UM0125461 0.74μM R02 exp84 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp84_vs_exp89.png?nolink |}} </modal> <modal id="10" size="lg" title="Cryptotanshinone 12μM R05 exp227 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp227_vs_exp89.png?nolink |}} </modal> <modal id="11" size="lg" title="FTY720 3μM R08 exp483 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp483_vs_exp89.png?nolink |}} </modal> <modal id="12" size="lg" title="Monensin 0.3μM R08 exp507 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp507_vs_exp89.png?nolink |}} </modal> <modal id="13" size="lg" title="Nicotine 3000μM R08 exp510 vs Vemurafenib 6.6μM R02 exp89"> {{:chemogenomics:comparison_plots:exp510_vs_exp89.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> Last modified: 2026/01/15 21:36by 127.0.0.1