====== Ibrutinib 1μM R07 exp372 ======
==== Mechanism of Action ====
Inhibits BTK
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein 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='Protein 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='Protein 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 |}}
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|< 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>**: 07
    * **<color #00a2e8>Dose</color>**: 1µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.5
    * **<color #00a2e8>Numbers of reads</color>**: 19801915


==== 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/Ibrutinib_1uM_Round-7_exp372.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='Ibrutinib 1μM R07 exp372'>
{{:chemogenomics:cranks_plots:exp372.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:M:MTHFS|MTHFS]]|-2.53|0.30|
|[[:human_genes:K:KRTAP10-4|KRTAP10-4]]|-2.33|0.56|
|[[:human_genes:M:MTR|MTR]]|-2.30|0.41|
|[[:human_genes:V:VPS25|VPS25]]|-2.25|0.61|
|[[:human_genes:O:OR1J1|OR1J1]]|-2.24|0.41|
|[[:human_genes:U:UHRF1|UHRF1]]|-2.19|0.41|
|[[:human_genes:A:ARFRP1|ARFRP1]]|-2.18|0.41|
|[[:human_genes:Z:ZNF117|ZNF117]]|-2.17|0.41|
|[[:human_genes:C:CAPZA2|CAPZA2]]|-2.14|0.41|
|[[:human_genes:Z:ZDHHC5|ZDHHC5]]|-2.12|0.46|
|[[:human_genes:D:DCLRE1B|DCLRE1B]]|-2.10|0.41|
|[[:human_genes:M:MTHFD1L|MTHFD1L]]|-2.10|0.41|
|[[:human_genes:P:PIFO|PIFO]]|-2.09|0.41|
|[[:human_genes:V:VEZT|VEZT]]|-2.07|0.41|
|[[:human_genes:T:TCF4|TCF4]]|-2.06|0.41|
|[[:human_genes:I:IL1RAP|IL1RAP]]|-2.05|0.41|
|[[:human_genes:M:MAS1|MAS1]]|-2.03|0.41|
|[[:human_genes:S:SLC25A32|SLC25A32]]|-2.00|0.57|
|[[:human_genes:T:TCOF1|TCOF1]]|-1.99|0.57|
|[[:human_genes:A:ADSL|ADSL]]|-1.96|0.61|
|[[:human_genes:S:SLC46A3|SLC46A3]]|-1.94|0.56|
|[[:human_genes:T:TFEC|TFEC]]|-1.94|0.56|
|[[:human_genes:P:PDXK|PDXK]]|-1.93|0.56|
|[[:human_genes:K:KDM8|KDM8]]|-1.93|0.61|
|[[:human_genes:M:MAGEC3|MAGEC3]]|-1.91|0.61|
|[[:human_genes:C:CEPT1|CEPT1]]|-1.91|0.56|
|[[:human_genes:F:FBXO11|FBXO11]]|-1.90|0.56|
|[[:human_genes:L:LIG4|LIG4]]|-1.88|0.61|
|[[:human_genes:P:PLD2|PLD2]]|-1.87|0.57|
|[[:human_genes:R:RTCB|RTCB]]|-1.86|0.61|
|[[:human_genes:R:RPF1|RPF1]]|1.89|0.68|
|[[:human_genes:P:POLD2|POLD2]]|1.90|0.73|
|[[:human_genes:Y:YPEL5|YPEL5]]|1.91|0.68|
|[[:human_genes:A:ACSF2|ACSF2]]|1.91|0.68|
|[[:human_genes:T:TMEM135|TMEM135]]|1.92|0.68|
|[[:human_genes:S:SYNE2|SYNE2]]|1.92|0.68|
|[[:human_genes:M:MYC|MYC]]|1.93|0.74|
|[[:human_genes:D:DUSP2|DUSP2]]|1.94|0.68|
|[[:human_genes:N:NPIPB3|NPIPB3]]|1.97|0.77|
|[[:human_genes:T:TGFBR3|TGFBR3]]|1.98|0.68|
|[[:human_genes:A:ABHD11|ABHD11]]|2.00|0.68|
|[[:human_genes:G:GAS1|GAS1]]|2.01|0.68|
|[[:human_genes:A:ANXA8L2|ANXA8L2]]|2.01|0.68|
|[[:human_genes:A:ACYP1|ACYP1]]|2.02|0.68|
|[[:human_genes:A:ANP32C|ANP32C]]|2.02|0.73|
|[[:human_genes:S:SLC1A2|SLC1A2]]|2.02|0.68|
|[[:human_genes:N:NHP2L1|NHP2L1]]|2.02|0.74|
|[[:human_genes:S:SGCG|SGCG]]|2.04|0.68|
|[[:human_genes:C:C2orf48|C2orf48]]|2.07|0.68|
|[[:human_genes:T:TNNC1|TNNC1]]|2.07|0.68|
|[[:human_genes:K:KMT2B|KMT2B]]|2.07|0.68|
|[[:human_genes:C:CDC73|CDC73]]|2.07|0.71|
|[[:human_genes:G:GOLPH3|GOLPH3]]|2.09|0.68|
|[[:human_genes:P:PCNA|PCNA]]|2.09|0.74|
|[[:human_genes:L:LRR1|LRR1]]|2.17|0.68|
|[[:human_genes:S:SNRPF|SNRPF]]|2.29|0.74|
|[[:human_genes:C:COPE|COPE]]|2.30|0.74|
|[[:human_genes:P:PSMC3|PSMC3]]|2.35|0.73|
|[[:human_genes:Z:ZNF714|ZNF714]]|2.49|0.39|
|[[:human_genes:A:ATP1A3|ATP1A3]]|2.54|0.39|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp421|VHL-ligand-1 20μM R07 exp421]]|0.065|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" size="lg" title="Ibrutinib 1μM R07 exp372  vs  VHL-ligand-1 20μM R07 exp421">
{{:chemogenomics:comparison_plots:exp372_vs_exp421.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|pteridine-containing compound metabolic process|76.40|MTHFS,MTR,MTHFD1L,SLC25A32|
|water-soluble vitamin metabolic process|40.83|MTHFS,MTR,SLC25A32,PDXK|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>