Ibrutinib 10μM R08 exp442 [The Human Chemical-Genetic Interaction Map Project]

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====== Ibrutinib 10μM R08 exp442 ======
==== Mechanism of Action ====
Inhibits BTK
  * **<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>** %%Ibrutinib%%
    * **<color #00a2e8>Synonyms:</color>** PCI-32765
    * **<color #00a2e8>CAS #:</color>** 936563-96-1
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/24821094|24821094]]
    * **<color #00a2e8>IUPAC:</color>** %%1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** XYFPWWZEPKGCCK-GOSISDBHSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 440.5
    * **<color #00a2e8>Canonical SMILES:</color>** C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    * **<color #00a2e8>Isomeric SMILES:</color>** C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
    * **<color #00a2e8>Molecular Formula:</color>** C25H24N6O2
{{:chemogenomics:structures:chem-0219.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-10997
    * **<color #00a2e8>Lot #:</color>** 11159
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C25H24N6O2 441.20335; found 441.20542
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Ibrutinib
    * **<color #00a2e8>Min:</color>** 9.9340; **<color #00a2e8>Max:</color>** 89.6423
{{:chemogenomics:dose_response:dr_434.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |6.9040    |
| IC30  |9.0387    |
| IC40  |10.9023    |
| IC50  |12.8362    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.6
    * **<color #00a2e8>Numbers of reads</color>**: 18159893


==== 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^
|16/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Ibrutinib_10uM_Round-8_exp442.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='Ibrutinib 10μM R08 exp442'>
{{:chemogenomics:cranks_plots:exp442.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC5A3|SLC5A3]]|-5.20|<0.01|
|[[:human_genes:T:TCF4|TCF4]]|-4.31|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-3.86|<0.01|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-3.70|<0.01|
|[[:human_genes:O:OTUB1|OTUB1]]|-3.61|<0.01|
|[[:human_genes:C:CHKA|CHKA]]|-3.32|<0.01|
|[[:human_genes:A:ABCC1|ABCC1]]|-3.24|<0.01|
|[[:human_genes:U:UBE2A|UBE2A]]|-3.09|<0.01|
|[[:human_genes:R:RAB1B|RAB1B]]|-2.88|0.01|
|[[:human_genes:R:RAB7A|RAB7A]]|-2.83|<0.01|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.76|<0.01|
|[[:human_genes:U:UNC50|UNC50]]|-2.61|0.02|
|[[:human_genes:S:SCYL1|SCYL1]]|-2.61|0.04|
|[[:human_genes:P:PPP2R2A|PPP2R2A]]|-2.43|0.04|
|[[:human_genes:S:STRADA|STRADA]]|-2.43|0.07|
|[[:human_genes:L:LSMD1|LSMD1]]|-2.39|0.09|
|[[:human_genes:C:CTDNEP1|CTDNEP1]]|-2.38|0.05|
|[[:human_genes:C:COG7|COG7]]|-2.38|0.05|
|[[:human_genes:F:FBXW7|FBXW7]]|-2.35|0.05|
|[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-2.32|0.11|
|[[:human_genes:X:XPO1|XPO1]]|-2.30|0.54|
|[[:human_genes:U:UBIAD1|UBIAD1]]|-2.27|0.13|
|[[:human_genes:C:CSK|CSK]]|-2.21|0.10|
|[[:human_genes:S:SMG8|SMG8]]|-2.18|0.11|
|[[:human_genes:R:RPS15A|RPS15A]]|-2.17|0.68|
|[[:human_genes:T:TSSC1|TSSC1]]|-2.16|0.12|
|[[:human_genes:S:SREK1|SREK1]]|-2.11|0.15|
|[[:human_genes:A:AGPAT6|AGPAT6]]|-2.10|0.15|
|[[:human_genes:D:DEPDC4|DEPDC4]]|-2.09|0.26|
|[[:human_genes:C:CHMP7|CHMP7]]|-2.09|0.15|
|[[:human_genes:T:TSPYL1|TSPYL1]]|1.90|0.61|
|[[:human_genes:D:DOCK6|DOCK6]]|1.91|0.61|
|[[:human_genes:N:NPAP1|NPAP1]]|1.92|0.61|
|[[:human_genes:A:ACTL6A|ACTL6A]]|1.94|0.61|
|[[:human_genes:N:NARFL|NARFL]]|1.94|0.71|
|[[:human_genes:E:EPM2AIP1|EPM2AIP1]]|1.95|0.61|
|[[:human_genes:A:ALCAM|ALCAM]]|1.97|0.61|
|[[:human_genes:X:XPNPEP1|XPNPEP1]]|1.97|0.61|
|[[:human_genes:A:ATP6AP2|ATP6AP2]]|2.00|0.61|
|[[:human_genes:C:COX6A1|COX6A1]]|2.02|0.59|
|[[:human_genes:A:ACCS|ACCS]]|2.04|0.61|
|[[:human_genes:P:PRPF19|PRPF19]]|2.06|0.61|
|[[:human_genes:I:ICT1|ICT1]]|2.06|0.61|
|[[:human_genes:D:DIEXF|DIEXF]]|2.07|0.61|
|[[:human_genes:T:TGFBR2|TGFBR2]]|2.07|0.61|
|[[:human_genes:E:EIF3A|EIF3A]]|2.08|0.51|
|[[:human_genes:T:TMSB15B|TMSB15B]]|2.09|0.67|
|[[:human_genes:N:NOP2|NOP2]]|2.10|0.61|
|[[:human_genes:D:DUSP6|DUSP6]]|2.14|0.41|
|[[:human_genes:S:SUCNR1|SUCNR1]]|2.14|0.41|
|[[:human_genes:C:CD81|CD81]]|2.17|0.41|
|[[:human_genes:K:KRIT1|KRIT1]]|2.17|0.41|
|[[:human_genes:A:AGGF1|AGGF1]]|2.17|0.56|
|[[:human_genes:P:PREPL|PREPL]]|2.18|0.41|
|[[:human_genes:T:TAZ|TAZ]]|2.19|0.61|
|[[:human_genes:S:SART1|SART1]]|2.21|0.61|
|[[:human_genes:E:EIF2S1|EIF2S1]]|2.32|0.67|
|[[:human_genes:H:HMGN5|HMGN5]]|2.34|0.41|
|[[:human_genes:L:LARP1|LARP1]]|2.54|0.41|
|[[:human_genes:P:PPP2R3C|PPP2R3C]]|3.04|0.02|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.086|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.064|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp307|Rapamycin 2μM plus Cyclosporin-A 3μM R07 exp307]]|0.063|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.061|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp504|MK2206 4μM R08 exp504]]|0.056|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp38|Wortmannin 5μM R00 exp38]]|0.051|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp131|L-74142 5μM R03 exp131]]|0.051|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.101|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.091|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp359|FK-506 30μM R07 exp359]]|0.077|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp467|CAY10603 0.55μM R08 exp467]]|0.065|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.063|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.061|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp469|CFI-400945 25μM R08 exp469]]|0.06|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp269|Bisphenol A 100μM R06 exp269]]|0.059|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp169|BH1 1μM R04 exp169]]|0.059|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.058|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.057|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.057|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.056|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.055|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.053|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp124|GSK343 3μM R03 exp124]]|0.052|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp348|Cyclosporin-A 3μM R07 exp348]]|0.052|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp67|BVD-523 15μM R02 exp67]]|0.051|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp470|Chloroquine 32μM R08 exp470]]|0.051|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.051|<button type="primary" size="small" modal="27">View</button>|
</modal>


<modal id="1" size="lg" title="Ibrutinib 10μM R08 exp442  vs  Thioridazine 5μM R08 exp530">
{{:chemogenomics:comparison_plots:exp442_vs_exp530.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Ibrutinib 10μM R08 exp442  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp442.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Ibrutinib 10μM R08 exp442  vs  Rapamycin 2μM plus Cyclosporin-A 3μM R07 exp307">
{{:chemogenomics:comparison_plots:exp307_vs_exp442.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Ibrutinib 10μM R08 exp442  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp442_vs_exp508.png?nolink |}}
</modal>

<modal id="5" size="lg" title="Ibrutinib 10μM R08 exp442  vs  MK2206 4μM R08 exp504">
{{:chemogenomics:comparison_plots:exp442_vs_exp504.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Ibrutinib 10μM R08 exp442  vs  Wortmannin 5μM R00 exp38">
{{:chemogenomics:comparison_plots:exp38_vs_exp442.png?nolink |}}
</modal>

<modal id="7" size="lg" title="Ibrutinib 10μM R08 exp442  vs  L-74142 5μM R03 exp131">
{{:chemogenomics:comparison_plots:exp131_vs_exp442.png?nolink |}}
</modal>

<modal id="8" size="lg" title="Chlorpromazine 10μM R07 exp344  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp344_vs_exp442.png?nolink |}}
</modal>

<modal id="9" size="lg" title="FTY720 3μM R08 exp483  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp483.png?nolink |}}
</modal>

<modal id="10" size="lg" title="FK-506 30μM R07 exp359  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp359_vs_exp442.png?nolink |}}
</modal>

<modal id="11" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp467.png?nolink |}}
</modal>

<modal id="12" size="lg" title="B02 10μM R08 exp453  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp453.png?nolink |}}
</modal>

<modal id="13" size="lg" title="EPZ-5676 30μM R05 exp233  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp233_vs_exp442.png?nolink |}}
</modal>

<modal id="14" size="lg" title="CFI-400945 25μM R08 exp469  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp469.png?nolink |}}
</modal>

<modal id="15" size="lg" title="Bisphenol A 100μM R06 exp269  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp269_vs_exp442.png?nolink |}}
</modal>

<modal id="16" size="lg" title="BH1 1μM R04 exp169  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp169_vs_exp442.png?nolink |}}
</modal>

<modal id="17" size="lg" title="∆-9-Tetrahydrocannabinol 30μM R08 exp445  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp445.png?nolink |}}
</modal>

<modal id="18" size="lg" title="BS-181 20μM R08 exp461  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp461.png?nolink |}}
</modal>

<modal id="19" size="lg" title="CCT251545 20μM R07 exp326  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp326_vs_exp442.png?nolink |}}
</modal>

<modal id="20" size="lg" title="Clomiphene 4.4μM R02 exp68  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp68.png?nolink |}}
</modal>

<modal id="21" size="lg" title="CB-839 10μM R05 exp224  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp224_vs_exp442.png?nolink |}}
</modal>

<modal id="22" size="lg" title="IU1-47 25μM R04 exp182  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp182_vs_exp442.png?nolink |}}
</modal>

<modal id="23" size="lg" title="GSK343 3μM R03 exp124  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp124_vs_exp442.png?nolink |}}
</modal>

<modal id="24" size="lg" title="Cyclosporin-A 3μM R07 exp348  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp348_vs_exp442.png?nolink |}}
</modal>

<modal id="25" size="lg" title="BVD-523 15μM R02 exp67  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp67.png?nolink |}}
</modal>

<modal id="26" size="lg" title="Chloroquine 32μM R08 exp470  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp470.png?nolink |}}
</modal>

<modal id="27" size="lg" title="Cannabidiol 20μM R08 exp466  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp466.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>