====== ABT-702 5μM plus Dimethyloxaloylglycine 11μM R07 exp319 ======
==== Mechanism of Action ====
Inhibits adenosine kinase (ADK)
  * **<color #00a2e8>Class / Subclass 1:</color>** Metabolism / Metabolic Enzyme Inhibitor




==== Technical Notes ====

<accordion collapsed='true'>
=== ABT-702 ===
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Adenosine Kinase Inhibitor%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1188890-28-9
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/16760265|16760265]]
    * **<color #00a2e8>IUPAC:</color>** %%5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H19BrN6O.2ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);2*1H
    * **<color #00a2e8>INCHI Key:</color>** OOXNYFKPOPJIOT-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 536.2
    * **<color #00a2e8>Canonical SMILES:</color>** C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C22H21BrCl2N6O
{{:chemogenomics:structures:chem-0155.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Tocris Bioscience
    * **<color #00a2e8>Catalog #:</color>** 2372
    * **<color #00a2e8>Lot #:</color>** 1B/195137
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H19BrN6O 463.08765; found 463.08744
</panel>





=== Dimethyloxaloylglycine ===
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Dimethyloxalylglycine%%
    * **<color #00a2e8>Synonyms:</color>** Dimethyloxallyl Glycine
    * **<color #00a2e8>CAS #:</color>** 89464-63-1
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/560326|560326]]
    * **<color #00a2e8>IUPAC:</color>** %%methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
    * **<color #00a2e8>INCHI Key:</color>** BNJOZDZCRHCODO-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 175.14
    * **<color #00a2e8>Canonical SMILES:</color>** COC(=O)CNC(=O)C(=O)OC
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C6H9NO5
{{:chemogenomics:structures:chem-0134.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** D476325
    * **<color #00a2e8>Lot #:</color>** 5-RUS-16-1
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C6H9NO5 176.05535; found 176.05545
</panel>




===ABT-702+Dimethyloxaloylglycine===
<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** DMOG_11uM_ABT-702
    * **<color #00a2e8>Min:</color>** -17.9330; **<color #00a2e8>Max:</color>** 56.4966
{{:chemogenomics:dose_response:dr_482.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |21.7941    |
| IC30  |26.3973    |
| IC40  |33.2027    |
| IC50  |N/A    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
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The dose response curve for ABT-702 is also available at:
  * [[results:exp318|exp318]]
  * [[results:exp260|exp260]]
  * [[results:exp261|exp261]]
The dose response curve for Dimethyloxaloylglycine is also available at:
  * [[results:exp314|exp314]]
  * [[results:exp229|exp229]]
</panel>


</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 07
    * **<color #00a2e8>Dose</color>**: 5µM + 11µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.8
    * **<color #00a2e8>Numbers of reads</color>**: 15327875


==== 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^
|2/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/ABT-702_5uM_Dimethyloxaloylglycine_11uM_Round-7_exp319.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="default" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='ABT-702 5μM plus Dimethyloxaloylglycine 11μM R07 exp319'>
{{:chemogenomics:cranks_plots:exp319.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC5A3|SLC5A3]]|-3.17|<0.01|
|[[:human_genes:V:VEZT|VEZT]]|-2.77|0.04|
|[[:human_genes:P:PTMS|PTMS]]|-2.62|0.22|
|[[:human_genes:M:MOCS3|MOCS3]]|-2.52|0.22|
|[[:human_genes:S:SLC22A14|SLC22A14]]|-2.44|0.22|
|[[:human_genes:C:CCDC153|CCDC153]]|-2.43|0.22|
|[[:human_genes:R:RABGGTB|RABGGTB]]|-2.32|0.34|
|[[:human_genes:W:WSB1|WSB1]]|-2.18|0.39|
|[[:human_genes:V:VCPIP1|VCPIP1]]|-2.14|0.35|
|[[:human_genes:P:PBX2|PBX2]]|-2.13|0.35|
|[[:human_genes:P:PRPS1|PRPS1]]|-2.11|0.35|
|[[:human_genes:C:CAMKV|CAMKV]]|-2.11|0.40|
|[[:human_genes:C:CAV3|CAV3]]|-2.10|0.35|
|[[:human_genes:A:ALDH18A1|ALDH18A1]]|-2.10|0.40|
|[[:human_genes:D:DERL2|DERL2]]|-2.06|0.39|
|[[:human_genes:E:EGLN1|EGLN1]]|-2.04|0.39|
|[[:human_genes:A:ACSL3|ACSL3]]|-2.04|0.40|
|[[:human_genes:P:PPP1R9A|PPP1R9A]]|-2.03|0.40|
|[[:human_genes:D:DNAJC3|DNAJC3]]|-2.01|0.40|
|[[:human_genes:E:EMP2|EMP2]]|-2.01|0.40|
|[[:human_genes:D:DUS2|DUS2]]|-2.00|0.40|
|[[:human_genes:M:MAP3K7CL|MAP3K7CL]]|-1.97|0.40|
|[[:human_genes:A:ADSL|ADSL]]|-1.96|0.67|
|[[:human_genes:C:CEPT1|CEPT1]]|-1.95|0.40|
|[[:human_genes:C:CCDC38|CCDC38]]|-1.94|0.40|
|[[:human_genes:P:PHACTR4|PHACTR4]]|-1.93|0.40|
|[[:human_genes:P:PRPF4|PRPF4]]|-1.93|0.85|
|[[:human_genes:L:LINS|LINS]]|-1.93|0.40|
|[[:human_genes:D:DDX39A|DDX39A]]|-1.92|0.40|
|[[:human_genes:S:SEC62|SEC62]]|-1.90|0.41|
|[[:human_genes:A:ANKRD1|ANKRD1]]|1.98|0.61|
|[[:human_genes:R:RPS14|RPS14]]|1.99|0.65|
|[[:human_genes:C:CHAF1A|CHAF1A]]|1.99|0.67|
|[[:human_genes:R:RRP15|RRP15]]|2.00|0.61|
|[[:human_genes:P:PRKG2|PRKG2]]|2.00|0.61|
|[[:human_genes:C:C14orf93|C14orf93]]|2.00|0.61|
|[[:human_genes:C:CADPS|CADPS]]|2.02|0.67|
|[[:human_genes:I:INTS6|INTS6]]|2.02|0.71|
|[[:human_genes:S:SLC14A1|SLC14A1]]|2.03|0.61|
|[[:human_genes:C:CASZ1|CASZ1]]|2.04|0.61|
|[[:human_genes:T:TINF2|TINF2]]|2.04|0.61|
|[[:human_genes:T:TMEM66|TMEM66]]|2.08|0.46|
|[[:human_genes:P:POP5|POP5]]|2.08|0.61|
|[[:human_genes:C:C9orf106|C9orf106]]|2.09|0.61|
|[[:human_genes:T:TUBB4A|TUBB4A]]|2.10|0.61|
|[[:human_genes:K:KRTAP4-9|KRTAP4-9]]|2.11|0.46|
|[[:human_genes:C:CCDC94|CCDC94]]|2.12|0.65|
|[[:human_genes:F:FAM184A|FAM184A]]|2.15|0.46|
|[[:human_genes:C:CDH20|CDH20]]|2.19|0.46|
|[[:human_genes:P:PSMC3|PSMC3]]|2.19|0.67|
|[[:human_genes:K:KRI1|KRI1]]|2.22|0.67|
|[[:human_genes:T:TIMP1|TIMP1]]|2.23|0.46|
|[[:human_genes:C:CHAF1B|CHAF1B]]|2.26|0.46|
|[[:human_genes:K:KRTAP10-6|KRTAP10-6]]|2.26|0.61|
|[[:human_genes:L:LIN9|LIN9]]|2.35|0.46|
|[[:human_genes:A:AUNIP|AUNIP]]|2.58|0.09|
|[[:human_genes:R:RPS28|RPS28]]|2.59|0.65|
|[[:human_genes:S:SKIV2L2|SKIV2L2]]|2.69|0.61|
|[[:human_genes:M:MED15|MED15]]|2.71|0.06|
|[[:human_genes:P:PAF1|PAF1]]|2.95|0.06|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
No correlation data above threshold. (correlation > 0.05)
</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">
^GO Term^Fold Change^Genes^
|rRNA processing|16.10|MTREX,RPS28,KRI1,POP5,RRP15,RPS14|
|rRNA metabolic process|14.11|MTREX,RPS28,KRI1,POP5,RRP15,RPS14|
|ribosome biogenesis|11.24|MTREX,RPS28,KRI1,POP5,RRP15,RPS14|
|ncRNA processing|9.65|MTREX,RPS28,KRI1,POP5,INTS6,RRP15,RPS14|
|ribonucleoprotein complex biogenesis|8.98|MTREX,RPS28,KRI1,YJU2,POP5,RRP15,RPS14|
|RNA processing|5.98|PAF1,MTREX,RPS28,KRI1,YJU2,POP5,INTS6,RRP15,RPS14|
</modal>