PT-1 25μM R07 exp392 [The Human Chemical-Genetic Interaction Map Project]

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.
====== PT-1 25μM R07 exp392 ======
==== Mechanism of Action ====
Activates AMPK, selectivefor ‘_1-complexes, may antagonize autoinhibition
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Activator




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%2-Chloro-5-[[(5Z)-5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 331002-70-1
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/135398518|135398518]]
    * **<color #00a2e8>IUPAC:</color>** %%2-chloro-5-[[(5Z)-5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10-
    * **<color #00a2e8>INCHI Key:</color>** RTHRCOIONCZINZ-JMIUGGIZSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 497.9
    * **<color #00a2e8>Canonical SMILES:</color>** CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=NC4=CC(=C(C=C4)Cl)C(=O)O)S3
    * **<color #00a2e8>Isomeric SMILES:</color>** CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\\3/C(=O)NC(=NC4=CC(=C(C=C4)Cl)C(=O)O)S3
    * **<color #00a2e8>Molecular Formula:</color>** C23H16ClN3O6S
{{:chemogenomics:structures:chem-0234.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Tocris Bioscience
    * **<color #00a2e8>Catalog #:</color>** 4039
    * **<color #00a2e8>Lot #:</color>** 1B/207254
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C23H16ClN3O6S 498.05211; found 498.05338
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** PT-1
    * **<color #00a2e8>Min:</color>** -13.9082; **<color #00a2e8>Max:</color>** 63.6419
{{:chemogenomics:dose_response:dr_442.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |80.8898    |
| IC30  |86.1595    |
| IC40  |92.2118    |
| IC50  |N/A    |
| 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>**: 25µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.9
    * **<color #00a2e8>Numbers of reads</color>**: 23662909


==== 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^
|1/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/PT_1_25uM_Round-7_exp392.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='PT-1 25μM R07 exp392'>
{{:chemogenomics:cranks_plots:exp392.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SUGT1|SUGT1]]|-2.86|0.05|
|[[:human_genes:T:TRIP12|TRIP12]]|-2.57|0.12|
|[[:human_genes:R:RAD1|RAD1]]|-2.50|0.12|
|[[:human_genes:R:RSRC2|RSRC2]]|-2.45|0.68|
|[[:human_genes:H:HSPA4|HSPA4]]|-2.43|0.23|
|[[:human_genes:B:BANF1|BANF1]]|-2.38|0.34|
|[[:human_genes:K:KDSR|KDSR]]|-2.33|0.23|
|[[:human_genes:I:IGSF23|IGSF23]]|-2.31|0.25|
|[[:human_genes:S:SUMO2|SUMO2]]|-2.29|0.60|
|[[:human_genes:P:PARP12|PARP12]]|-2.28|0.23|
|[[:human_genes:G:GCLC|GCLC]]|-2.23|0.23|
|[[:human_genes:U:URI1|URI1]]|-2.23|0.23|
|[[:human_genes:H:HAND2|HAND2]]|-2.18|0.25|
|[[:human_genes:N:NXPH3|NXPH3]]|-2.18|0.34|
|[[:human_genes:T:TRIAP1|TRIAP1]]|-2.14|0.36|
|[[:human_genes:C:CCIN|CCIN]]|-2.09|0.43|
|[[:human_genes:T:TDRD10|TDRD10]]|-2.08|0.34|
|[[:human_genes:M:MRPL27|MRPL27]]|-2.08|0.34|
|[[:human_genes:L:LITAF|LITAF]]|-2.05|0.34|
|[[:human_genes:V:VPS25|VPS25]]|-2.05|0.74|
|[[:human_genes:A:ATRX|ATRX]]|-2.04|0.34|
|[[:human_genes:T:TTC12|TTC12]]|-2.04|0.51|
|[[:human_genes:K:KIAA1432|KIAA1432]]|-1.97|0.43|
|[[:human_genes:C:C7orf76|C7orf76]]|-1.96|0.65|
|[[:human_genes:A:ABCA3|ABCA3]]|-1.94|0.65|
|[[:human_genes:X:XDH|XDH]]|-1.92|0.65|
|[[:human_genes:U:UBA3|UBA3]]|-1.91|0.68|
|[[:human_genes:E:ENO1|ENO1]]|-1.91|0.65|
|[[:human_genes:D:DHDDS|DHDDS]]|-1.87|0.70|
|[[:human_genes:R:RPE|RPE]]|-1.85|0.65|
|[[:human_genes:L:LCORL|LCORL]]|1.96|0.53|
|[[:human_genes:P:POLR2F|POLR2F]]|1.98|0.67|
|[[:human_genes:A:ARID3A|ARID3A]]|1.99|0.56|
|[[:human_genes:N:NDUFA10|NDUFA10]]|2.02|0.56|
|[[:human_genes:N:NKTR|NKTR]]|2.02|0.69|
|[[:human_genes:L:LOC728485|LOC728485]]|2.02|0.63|
|[[:human_genes:T:TAX1BP3|TAX1BP3]]|2.06|0.45|
|[[:human_genes:P:PLEKHB1|PLEKHB1]]|2.06|0.45|
|[[:human_genes:A:ABHD15|ABHD15]]|2.09|0.45|
|[[:human_genes:R:RAB41|RAB41]]|2.10|0.45|
|[[:human_genes:C:CPSF2|CPSF2]]|2.11|0.56|
|[[:human_genes:N:NHP2L1|NHP2L1]]|2.12|0.72|
|[[:human_genes:D:DDX27|DDX27]]|2.13|0.56|
|[[:human_genes:L:LRRC30|LRRC30]]|2.14|0.45|
|[[:human_genes:A:ARMC9|ARMC9]]|2.15|0.45|
|[[:human_genes:G:GRHL1|GRHL1]]|2.15|0.45|
|[[:human_genes:P:PSMD1|PSMD1]]|2.19|0.56|
|[[:human_genes:L:LRRC63|LRRC63]]|2.19|0.76|
|[[:human_genes:E:EIF4A3|EIF4A3]]|2.19|0.53|
|[[:human_genes:T:TPX2|TPX2]]|2.19|0.45|
|[[:human_genes:S:SLC13A2|SLC13A2]]|2.21|0.45|
|[[:human_genes:P:POLA2|POLA2]]|2.25|0.56|
|[[:human_genes:M:MORN2|MORN2]]|2.32|0.56|
|[[:human_genes:T:TOM1L2|TOM1L2]]|2.36|0.45|
|[[:human_genes:U:USP27X|USP27X]]|2.37|0.74|
|[[:human_genes:G:GCM1|GCM1]]|2.40|0.36|
|[[:human_genes:T:TANGO6|TANGO6]]|2.40|0.45|
|[[:human_genes:P:PRKG2|PRKG2]]|2.76|0.24|
|[[:human_genes:S:SART1|SART1]]|2.95|0.45|
|[[:human_genes:U:USP17L19|USP17L19]]|2.97|0.45|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp121|Golgicide-A 2μM R03 exp121]]|0.056|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp185|L-BMAA 500 to 750μM on day4 R04 exp185]]|0.051|<button type="primary" size="small" modal="2">View</button>|
</modal>


<modal id="1" size="lg" title="Golgicide-A 2μM R03 exp121  vs  PT-1 25μM R07 exp392">
{{:chemogenomics:comparison_plots:exp121_vs_exp392.png?nolink |}}
</modal>

<modal id="2" size="lg" title="L-BMAA 500 to 750μM on day4 R04 exp185  vs  PT-1 25μM R07 exp392">
{{:chemogenomics:comparison_plots:exp185_vs_exp392.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>