====== Celastrol 0.12μM R05 exp225 ======
==== Mechanism of Action ====
Putative antioxidant, anti-inflammatory, antiobesity anticancer, proteasome inhibitor
  * **<color #00a2e8>Class / Subclass 1:</color>** Uncharacterized Mechanism / Natural Product
  * **<color #00a2e8>Class / Subclass 2:</color>** Proteostasis / Ubiquitin-Proteasome Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Celastrol%%
    * **<color #00a2e8>Synonyms:</color>** Celastrol
    * **<color #00a2e8>CAS #:</color>** 34157-83-0
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/122724|122724]]
    * **<color #00a2e8>IUPAC:</color>** %%(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** KQJSQWZMSAGSHN-JJWQIEBTSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 450.6
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
    * **<color #00a2e8>Isomeric SMILES:</color>** CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
    * **<color #00a2e8>Molecular Formula:</color>** C29H38O4
{{:chemogenomics:structures:chem-0130.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Sigma-Aldrich
    * **<color #00a2e8>Catalog #:</color>** C0869
    * **<color #00a2e8>Lot #:</color>** 18134
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C29H38O4 451.28429; found 451.2861
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Celastrol
    * **<color #00a2e8>Min:</color>** 0.0523; **<color #00a2e8>Max:</color>** 99.6884
{{:chemogenomics:dose_response:dr_195.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0955    |
| IC30  |0.1091    |
| IC40  |0.1218    |
| IC50  |0.1347    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 120nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.8
    * **<color #00a2e8>Numbers of reads</color>**: 17259093


==== 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^
|3/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Celastrol_0.12uM_Round-5_exp225.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='Celastrol 0.12μM R05 exp225'>
{{:chemogenomics:cranks_plots:exp225.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GPR107|GPR107]]|-3.22|<0.01|
|[[:human_genes:G:GSR|GSR]]|-2.83|0.05|
|[[:human_genes:A:ARL1|ARL1]]|-2.78|0.03|
|[[:human_genes:S:SCAP|SCAP]]|-2.77|0.05|
|[[:human_genes:K:KIAA1432|KIAA1432]]|-2.47|0.08|
|[[:human_genes:A:ALG9|ALG9]]|-2.43|0.09|
|[[:human_genes:E:ERCC2|ERCC2]]|-2.34|0.49|
|[[:human_genes:C:CD69|CD69]]|-2.23|0.26|
|[[:human_genes:S:SEPHS2|SEPHS2]]|-2.20|0.27|
|[[:human_genes:F:FRY|FRY]]|-2.12|0.38|
|[[:human_genes:A:AGPAT1|AGPAT1]]|-2.11|0.49|
|[[:human_genes:M:MBTPS1|MBTPS1]]|-2.10|0.49|
|[[:human_genes:P:PPIL4|PPIL4]]|-2.10|0.49|
|[[:human_genes:X:XPOT|XPOT]]|-2.07|0.49|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.04|0.62|
|[[:human_genes:L:LGALS14|LGALS14]]|-2.03|0.49|
|[[:human_genes:C:CHP1|CHP1]]|-2.01|0.49|
|[[:human_genes:S:SUMO2|SUMO2]]|-2.01|0.54|
|[[:human_genes:P:PDCD5|PDCD5]]|-1.99|0.49|
|[[:human_genes:Z:ZNF350|ZNF350]]|-1.99|0.49|
|[[:human_genes:S:SREK1|SREK1]]|-1.97|0.49|
|[[:human_genes:A:ATP2B1|ATP2B1]]|-1.96|0.49|
|[[:human_genes:F:FAM212A|FAM212A]]|-1.96|0.49|
|[[:human_genes:C:C14orf39|C14orf39]]|-1.94|0.49|
|[[:human_genes:S:SSX2IP|SSX2IP]]|-1.94|0.50|
|[[:human_genes:N:NRG2|NRG2]]|-1.94|0.49|
|[[:human_genes:C:CAMSAP2|CAMSAP2]]|-1.93|0.49|
|[[:human_genes:C:CMTR2|CMTR2]]|-1.91|0.49|
|[[:human_genes:T:TBCEL|TBCEL]]|-1.91|0.49|
|[[:human_genes:A:ACTL6A|ACTL6A]]|-1.91|0.68|
|[[:human_genes:I:INTS5|INTS5]]|1.95|0.71|
|[[:human_genes:X:XPO1|XPO1]]|1.97|0.82|
|[[:human_genes:P:P2RX3|P2RX3]]|2.01|0.51|
|[[:human_genes:P:PLEKHM3|PLEKHM3]]|2.02|0.51|
|[[:human_genes:K:KLHL42|KLHL42]]|2.02|0.55|
|[[:human_genes:T:TRIM52|TRIM52]]|2.02|0.73|
|[[:human_genes:D:DHX37|DHX37]]|2.03|0.67|
|[[:human_genes:S:SLC16A4|SLC16A4]]|2.04|0.51|
|[[:human_genes:H:HDGFRP2|HDGFRP2]]|2.04|0.55|
|[[:human_genes:G:GRID1|GRID1]]|2.05|0.51|
|[[:human_genes:U:URI1|URI1]]|2.07|0.58|
|[[:human_genes:G:GAPDHS|GAPDHS]]|2.11|0.51|
|[[:human_genes:T:TCHP|TCHP]]|2.11|0.55|
|[[:human_genes:I:IFFO2|IFFO2]]|2.11|0.43|
|[[:human_genes:P:PCF11|PCF11]]|2.11|0.51|
|[[:human_genes:M:MUC15|MUC15]]|2.15|0.55|
|[[:human_genes:N:NDC80|NDC80]]|2.16|0.73|
|[[:human_genes:T:THRB|THRB]]|2.18|0.37|
|[[:human_genes:S:STAC2|STAC2]]|2.18|0.37|
|[[:human_genes:E:EIF3B|EIF3B]]|2.19|0.58|
|[[:human_genes:T:TAT|TAT]]|2.22|0.37|
|[[:human_genes:L:LRR1|LRR1]]|2.26|0.55|
|[[:human_genes:P:PRSS50|PRSS50]]|2.29|0.37|
|[[:human_genes:D:DET1|DET1]]|2.30|0.37|
|[[:human_genes:P:POLA1|POLA1]]|2.31|0.73|
|[[:human_genes:I:IFNW1|IFNW1]]|2.32|0.37|
|[[:human_genes:N:NDUFAF5|NDUFAF5]]|2.38|0.54|
|[[:human_genes:R:RFC1|RFC1]]|2.46|0.55|
|[[:human_genes:R:RXFP2|RXFP2]]|2.60|0.19|
|[[:human_genes:M:MCL1|MCL1]]|2.66|0.19|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.057|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" size="lg" title="Celastrol 0.12μM R05 exp225  vs  EPZ-5676 30μM R05 exp233">
{{:chemogenomics:comparison_plots:exp225_vs_exp233.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>