====== Caffeine 2600μM R08 exp463 ======
==== Mechanism of Action ====
CNS stimulant, antagonist of adenosine receptors, inhibits phosphodiesterases, modulates intracellular calcium
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / GPCR Antagonist
  * **<color #00a2e8>Class / Subclass 2:</color>** Environmental Stresses / Food Additive



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Caffeine%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 58-08-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/2519|2519]]
    * **<color #00a2e8>IUPAC:</color>** %%1,3,7-trimethylpurine-2,6-dione%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
    * **<color #00a2e8>INCHI Key:</color>** RYYVLZVUVIJVGH-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 194.19
    * **<color #00a2e8>Canonical SMILES:</color>** CN1C=NC2=C1C(=O)N(C(=O)N2C)C
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C8H10N4O2
{{:chemogenomics:structures:chem-0273.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Combi-Blocks
    * **<color #00a2e8>Catalog #:</color>** QE-5365
    * **<color #00a2e8>Lot #:</color>** A39397
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C8H10N4O2 195.08765; found 195.08772
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Caffeine
    * **<color #00a2e8>Min:</color>** 2.4949; **<color #00a2e8>Max:</color>** 86.2839
{{:chemogenomics:dose_response:dr_603.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |1086.0000    |
| IC20  |1832.0000    |
| IC30  |2593.0000    |
| IC40  |3448.0000    |
| IC50  |4478.0000    |
| IC60  |5817.0000    |
| IC70  |7734.0000    |
| IC80  |10950.0000    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 2600µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 5.0
    * **<color #00a2e8>Numbers of reads</color>**: 14919705


==== 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^
|9/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Caffeine_2600uM_Round-8_exp463.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='Caffeine 2600μM R08 exp463'>
{{:chemogenomics:cranks_plots:exp463.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC39A9|SLC39A9]]|-4.49|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-4.18|<0.01|
|[[:human_genes:A:ARL1|ARL1]]|-3.37|<0.01|
|[[:human_genes:M:MAPK14|MAPK14]]|-2.97|<0.01|
|[[:human_genes:C:CHKA|CHKA]]|-2.81|<0.01|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.80|<0.01|
|[[:human_genes:D:DHX36|DHX36]]|-2.73|0.03|
|[[:human_genes:K:KDSR|KDSR]]|-2.61|0.03|
|[[:human_genes:N:NPTN|NPTN]]|-2.51|0.04|
|[[:human_genes:H:HIST1H4C|HIST1H4C]]|-2.43|0.06|
|[[:human_genes:T:TLK2|TLK2]]|-2.42|0.06|
|[[:human_genes:A:ACBD3|ACBD3]]|-2.32|0.22|
|[[:human_genes:F:FKBP15|FKBP15]]|-2.23|0.20|
|[[:human_genes:M:MID1IP1|MID1IP1]]|-2.20|0.15|
|[[:human_genes:A:APBA3|APBA3]]|-2.20|0.15|
|[[:human_genes:E:EIF2A|EIF2A]]|-2.20|0.15|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-2.19|0.15|
|[[:human_genes:M:MTA2|MTA2]]|-2.18|0.15|
|[[:human_genes:N:NBPF12|NBPF12]]|-2.16|0.68|
|[[:human_genes:G:GEMIN2|GEMIN2]]|-2.15|0.24|
|[[:human_genes:T:TXNRD1|TXNRD1]]|-2.13|0.46|
|[[:human_genes:A:ANKRD53|ANKRD53]]|-2.13|0.19|
|[[:human_genes:U:UBE2D3|UBE2D3]]|-2.12|0.19|
|[[:human_genes:H:HNRNPA2B1|HNRNPA2B1]]|-2.12|0.34|
|[[:human_genes:S:SMG8|SMG8]]|-2.10|0.20|
|[[:human_genes:U:UXS1|UXS1]]|-2.08|0.21|
|[[:human_genes:S:SNF8|SNF8]]|-2.06|0.30|
|[[:human_genes:S:SIN3B|SIN3B]]|-2.06|0.22|
|[[:human_genes:R:RALGAPB|RALGAPB]]|-2.05|0.22|
|[[:human_genes:R:RPL8|RPL8]]|-2.04|0.71|
|[[:human_genes:B:BAGE4|BAGE4]]|2.00|0.74|
|[[:human_genes:A:ATPIF1|ATPIF1]]|2.00|0.43|
|[[:human_genes:B:BAGE5|BAGE5]]|2.00|0.74|
|[[:human_genes:B:BAGE2|BAGE2]]|2.00|0.74|
|[[:human_genes:B:BAGE3|BAGE3]]|2.00|0.74|
|[[:human_genes:B:BAGE|BAGE]]|2.00|0.74|
|[[:human_genes:T:TBC1D9B|TBC1D9B]]|2.01|0.43|
|[[:human_genes:E:ETFB|ETFB]]|2.02|0.36|
|[[:human_genes:X:XRCC4|XRCC4]]|2.03|0.36|
|[[:human_genes:S:SMARCAD1|SMARCAD1]]|2.03|0.36|
|[[:human_genes:U:UBXN7|UBXN7]]|2.05|0.36|
|[[:human_genes:B:BGLAP|BGLAP]]|2.08|0.36|
|[[:human_genes:P:POLR1E|POLR1E]]|2.10|0.37|
|[[:human_genes:M:MRPL11|MRPL11]]|2.10|0.45|
|[[:human_genes:T:TFDP1|TFDP1]]|2.12|0.37|
|[[:human_genes:T:TVP23C|TVP23C]]|2.13|0.36|
|[[:human_genes:T:TEPP|TEPP]]|2.14|0.36|
|[[:human_genes:D:DPRX|DPRX]]|2.14|0.36|
|[[:human_genes:Z:ZNF217|ZNF217]]|2.16|0.36|
|[[:human_genes:A:ABHD5|ABHD5]]|2.17|0.36|
|[[:human_genes:K:KREMEN1|KREMEN1]]|2.18|0.36|
|[[:human_genes:C:CEBPG|CEBPG]]|2.18|0.36|
|[[:human_genes:E:EIF3D|EIF3D]]|2.19|0.43|
|[[:human_genes:H:HSPE1|HSPE1]]|2.21|0.73|
|[[:human_genes:T:TSNARE1|TSNARE1]]|2.24|0.36|
|[[:human_genes:Z:ZNF470|ZNF470]]|2.25|0.36|
|[[:human_genes:P:PNMAL2|PNMAL2]]|2.32|0.36|
|[[:human_genes:S:SORBS2|SORBS2]]|2.33|0.36|
|[[:human_genes:S:SLC39A10|SLC39A10]]|2.73|0.10|
|[[:human_genes:U:UBA1|UBA1]]|3.00|0.36|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp77|Prochlorperazine 5.2μM R02 exp77]]|0.055|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.051|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp169|BH1 1μM R04 exp169]]|0.051|<button type="primary" size="small" modal="3">View</button>|
</modal>


<modal id="1" size="lg" title="Caffeine 2600μM R08 exp463  vs  Prochlorperazine 5.2μM R02 exp77">
{{:chemogenomics:comparison_plots:exp463_vs_exp77.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Caffeine 2600μM R08 exp463  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp463.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BH1 1μM R04 exp169  vs  Caffeine 2600μM R08 exp463">
{{:chemogenomics:comparison_plots:exp169_vs_exp463.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>