LJH685 5μM R02 exp73 [The Human Chemical-Genetic Interaction Map Project]

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====== LJH685 5μM R02 exp73 ======
==== Mechanism of Action ====
Inhibits p90 ribosomal S6 kinase (RSK)
  * **<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>** %%2,6-Difluoro-4-{4-[4-(4-Methylpiperazin-1-Yl)phenyl]pyridin-3-Yl}phenol%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1627710-50-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/73010393|73010393]]
    * **<color #00a2e8>IUPAC:</color>** %%2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
    * **<color #00a2e8>INCHI Key:</color>** IKUFKDGKRLMXEX-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 381.4
    * **<color #00a2e8>Canonical SMILES:</color>** CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C22H21F2N3O
{{:chemogenomics:structures:chem-0049.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-19712
    * **<color #00a2e8>Lot #:</color>** 20222
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H21F2N3O 382.17255; found 382.17299
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** LJH685
    * **<color #00a2e8>Min:</color>** -6.5646; **<color #00a2e8>Max:</color>** 16.3818
{{:chemogenomics:dose_response:dr_14.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| 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>**: 5µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.9
    * **<color #00a2e8>Numbers of reads</color>**: 12379255


==== 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/LJH685_5uM_Round-2_exp73.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='LJH685 5μM R02 exp73'>
{{:chemogenomics:cranks_plots:exp73.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:M:MOGAT1|MOGAT1]]|-2.68|0.12|
|[[:human_genes:C:CDIPT|CDIPT]]|-2.65|0.42|
|[[:human_genes:E:ERI3|ERI3]]|-2.44|0.34|
|[[:human_genes:S:SPATA31E1|SPATA31E1]]|-2.27|0.34|
|[[:human_genes:I:IQCJ|IQCJ]]|-2.26|0.34|
|[[:human_genes:V:VHL|VHL]]|-2.25|0.34|
|[[:human_genes:R:RBM14|RBM14]]|-2.21|0.34|
|[[:human_genes:P:PMVK|PMVK]]|-2.20|0.34|
|[[:human_genes:K:KDSR|KDSR]]|-2.19|0.34|
|[[:human_genes:T:TTI1|TTI1]]|-2.18|0.34|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.18|0.63|
|[[:human_genes:R:RBM14-RBM4|RBM14-RBM4]]|-2.18|0.34|
|[[:human_genes:S:STARD8|STARD8]]|-2.17|0.34|
|[[:human_genes:O:ODF4|ODF4]]|-2.13|0.34|
|[[:human_genes:P:PCDHB10|PCDHB10]]|-2.12|0.34|
|[[:human_genes:C:CXorf64|CXorf64]]|-2.08|0.54|
|[[:human_genes:M:MAP9|MAP9]]|-2.08|0.46|
|[[:human_genes:G:GRM7|GRM7]]|-2.07|0.34|
|[[:human_genes:A:APOM|APOM]]|-2.07|0.34|
|[[:human_genes:M:MMGT1|MMGT1]]|-2.07|0.46|
|[[:human_genes:T:TRIM44|TRIM44]]|-2.06|0.46|
|[[:human_genes:A:ANKRD11|ANKRD11]]|-2.04|0.48|
|[[:human_genes:O:ORAOV1|ORAOV1]]|-2.04|0.55|
|[[:human_genes:F:FARSA|FARSA]]|-2.03|0.73|
|[[:human_genes:F:FAF2|FAF2]]|-2.00|0.57|
|[[:human_genes:D:DYSF|DYSF]]|-1.98|0.45|
|[[:human_genes:C:CCDC101|CCDC101]]|-1.97|0.54|
|[[:human_genes:Z:ZCRB1|ZCRB1]]|-1.97|0.54|
|[[:human_genes:R:RABGGTB|RABGGTB]]|-1.96|0.54|
|[[:human_genes:M:MTX1|MTX1]]|-1.94|0.54|
|[[:human_genes:C:CECR2|CECR2]]|1.93|0.59|
|[[:human_genes:B:BAGE4|BAGE4]]|1.95|0.89|
|[[:human_genes:B:BAGE5|BAGE5]]|1.95|0.89|
|[[:human_genes:B:BAGE2|BAGE2]]|1.95|0.89|
|[[:human_genes:B:BAGE|BAGE]]|1.95|0.89|
|[[:human_genes:B:BAGE3|BAGE3]]|1.95|0.89|
|[[:human_genes:D:DEFB136|DEFB136]]|1.95|0.63|
|[[:human_genes:C:C1orf112|C1orf112]]|1.98|0.60|
|[[:human_genes:P:PLRG1|PLRG1]]|1.98|0.73|
|[[:human_genes:S:SMAD6|SMAD6]]|1.99|0.59|
|[[:human_genes:A:ATF6|ATF6]]|2.01|0.72|
|[[:human_genes:O:OR4K17|OR4K17]]|2.01|0.59|
|[[:human_genes:D:DNAJC10|DNAJC10]]|2.03|0.59|
|[[:human_genes:Z:ZNF335|ZNF335]]|2.10|0.60|
|[[:human_genes:U:UBR4|UBR4]]|2.10|0.59|
|[[:human_genes:D:DHX38|DHX38]]|2.11|0.89|
|[[:human_genes:Z:ZFYVE1|ZFYVE1]]|2.14|0.59|
|[[:human_genes:M:MPZL1|MPZL1]]|2.16|0.58|
|[[:human_genes:T:TERF2|TERF2]]|2.18|0.59|
|[[:human_genes:A:ALKBH2|ALKBH2]]|2.18|0.59|
|[[:human_genes:K:KIF11|KIF11]]|2.19|0.89|
|[[:human_genes:A:ANXA3|ANXA3]]|2.19|0.58|
|[[:human_genes:R:RAP1B|RAP1B]]|2.20|0.59|
|[[:human_genes:A:ACTB|ACTB]]|2.23|0.59|
|[[:human_genes:R:RPS3|RPS3]]|2.28|0.60|
|[[:human_genes:D:DDX46|DDX46]]|2.29|0.83|
|[[:human_genes:U:USP17L19|USP17L19]]|2.45|0.74|
|[[:human_genes:S:SYT12|SYT12]]|2.65|0.09|
|[[:human_genes:E:EIF3G|EIF3G]]|2.80|0.09|
|[[:human_genes:N:NUP205|NUP205]]|2.84|0.12|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp185|L-BMAA 500 to 750μM on day4 R04 exp185]]|0.069|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" size="lg" title="L-BMAA 500 to 750μM on day4 R04 exp185  vs  LJH685 5μM R02 exp73">
{{:chemogenomics:comparison_plots:exp185_vs_exp73.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>