====== 2-Deoxy-D-glucose 800μM R05 exp214 ======
==== Mechanism of Action ====
Inhibits phosphoglucoisomerase, competitive, blocks glycolysis
* **Class / Subclass 1:** Metabolism / Metabolic Enzyme Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%Deoxyglucose%%
* **Synonyms:** 2-Deoxy-D-arabino-hexose; D-Arabino-2-deoxyhexose
* **CAS #:** 154-17-6
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/108223|108223]]
* **IUPAC:** %%(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal%%
* **INCHI Name:** InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1
* **INCHI Key:** VRYALKFFQXWPIH-PBXRRBTRSA-N
* **Molecular Weight:** 164.16
* **Canonical SMILES:** C(C=O)C(C(C(CO)O)O)O
* **Isomeric SMILES:** C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
* **Molecular Formula:** C6H12O5
{{:chemogenomics:structures:chem-0108.svg?nolink}}
* **Supplier Name:** Chem-Impex International
* **Catalog #:** 21916
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+Na)+ Calcd for C6H12O5 187.05769; found 187.05708
* **Platform ID:** 2-deoxy-D-glucose
* **Min:** -9.1371; **Max:** 57.2932
{{:chemogenomics:dose_response:dr_176.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |0.5031 |
| IC30 |0.7657 |
| IC40 |1.0805 |
| IC50 |1.4822 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 05
* **Dose**: 800µM
* **Days of incubation**: 8
* **Doublings**: 2.3
* **Numbers of reads**: 17052896
==== 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^
|10/60|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/2-Deoxy-D-glucose_800uM_Round-5_exp214.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp214.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GDPGP1|GDPGP1]]|-4.46|<0.01|
|[[:human_genes:C:C6orf136|C6orf136]]|-3.58|<0.01|
|[[:human_genes:P:PMM2|PMM2]]|-3.40|<0.01|
|[[:human_genes:C:CCM2|CCM2]]|-3.14|<0.01|
|[[:human_genes:S:SLC25A5|SLC25A5]]|-3.01|<0.01|
|[[:human_genes:C:C17orf89|C17orf89]]|-2.86|<0.01|
|[[:human_genes:B:BCL2L1|BCL2L1]]|-2.77|0.01|
|[[:human_genes:N:NDUFB10|NDUFB10]]|-2.64|0.02|
|[[:human_genes:T:TIMM21|TIMM21]]|-2.58|0.03|
|[[:human_genes:A:ATP5B|ATP5B]]|-2.46|0.05|
|[[:human_genes:W:WAPAL|WAPAL]]|-2.43|0.16|
|[[:human_genes:U:USP5|USP5]]|-2.42|0.07|
|[[:human_genes:W:WBSCR16|WBSCR16]]|-2.41|0.16|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.41|0.07|
|[[:human_genes:A:ATG9A|ATG9A]]|-2.41|0.06|
|[[:human_genes:Y:YPEL5|YPEL5]]|-2.40|0.06|
|[[:human_genes:N:NDUFAF1|NDUFAF1]]|-2.38|0.13|
|[[:human_genes:R:RHOA|RHOA]]|-2.37|0.06|
|[[:human_genes:G:G6PD|G6PD]]|-2.37|0.06|
|[[:human_genes:M:MRPL55|MRPL55]]|-2.36|0.06|
|[[:human_genes:T:TNPO1|TNPO1]]|-2.34|0.06|
|[[:human_genes:V:VPS25|VPS25]]|-2.31|0.40|
|[[:human_genes:C:CHMP7|CHMP7]]|-2.31|0.07|
|[[:human_genes:E:EEF2|EEF2]]|-2.30|0.40|
|[[:human_genes:A:ATP1B4|ATP1B4]]|-2.30|0.11|
|[[:human_genes:N:NR2C2|NR2C2]]|-2.28|0.07|
|[[:human_genes:A:ATP5E|ATP5E]]|-2.26|0.21|
|[[:human_genes:H:HSP90B1|HSP90B1]]|-2.26|0.07|
|[[:human_genes:S:SCO2|SCO2]]|-2.25|0.07|
|[[:human_genes:P:PDHB|PDHB]]|-2.25|0.07|
|[[:human_genes:C:CTU2|CTU2]]|2.81|<0.01|
|[[:human_genes:E:EIF4A1|EIF4A1]]|2.84|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|2.86|<0.01|
|[[:human_genes:R:RPS25|RPS25]]|2.89|<0.01|
|[[:human_genes:M:MAGT1|MAGT1]]|2.91|<0.01|
|[[:human_genes:F:FAF2|FAF2]]|2.91|<0.01|
|[[:human_genes:A:ARID4B|ARID4B]]|2.91|<0.01|
|[[:human_genes:I:IMPDH2|IMPDH2]]|2.97|<0.01|
|[[:human_genes:S:SP2|SP2]]|3.03|<0.01|
|[[:human_genes:A:ACO2|ACO2]]|3.13|<0.01|
|[[:human_genes:S:SLC4A7|SLC4A7]]|3.15|<0.01|
|[[:human_genes:Z:ZCCHC8|ZCCHC8]]|3.16|<0.01|
|[[:human_genes:A:ATIC|ATIC]]|3.18|<0.01|
|[[:human_genes:A:AK6|AK6]]|3.22|<0.01|
|[[:human_genes:H:HINT1|HINT1]]|3.29|<0.01|
|[[:human_genes:M:MOCS3|MOCS3]]|3.46|<0.01|
|[[:human_genes:T:TKT|TKT]]|3.48|<0.01|
|[[:human_genes:P:PGM2L1|PGM2L1]]|3.59|<0.01|
|[[:human_genes:I:IDH1|IDH1]]|3.59|<0.01|
|[[:human_genes:P:PGLS|PGLS]]|3.71|<0.01|
|[[:human_genes:A:AHCYL1|AHCYL1]]|3.73|<0.01|
|[[:human_genes:S:SLC2A1|SLC2A1]]|3.79|<0.01|
|[[:human_genes:A:ATXN2L|ATXN2L]]|4.10|<0.01|
|[[:human_genes:S:STT3B|STT3B]]|4.35|<0.01|
|[[:human_genes:T:TARDBP|TARDBP]]|5.04|<0.01|
|[[:human_genes:M:MLXIP|MLXIP]]|6.25|<0.01|
|[[:human_genes:H:HK2|HK2]]|6.40|<0.01|
|[[:human_genes:P:PFKP|PFKP]]|7.65|<0.01|
|[[:human_genes:T:TXNIP|TXNIP]]|8.44|<0.01|
|[[:human_genes:M:MLX|MLX]]|8.49|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp135|MS023 7μM R03 exp135]]|0.082||
|[[:results:exp134|MS023 2μM R03 exp134]]|0.08||
|[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.067||
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.065||
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.063||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.061||
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.06||
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.058||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.057||
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.056||
|[[:results:exp349|Cytochalasin-B 5μM R07 exp349]]|0.055||
|[[:results:exp407|Thapsigargin 0.005μM R07 exp407]]|0.055||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.054||
|[[:results:exp505|ML-792 0.2μM R08 exp505]]|0.054||
|[[:results:exp21|MLN-4924 0.2μM R00 exp21]]|0.053||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.053||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.051||
|[[:results:exp359|FK-506 30μM R07 exp359]]|0.051||
{{:chemogenomics:comparison_plots:exp135_vs_exp214.png?nolink |}}
{{:chemogenomics:comparison_plots:exp134_vs_exp214.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp234.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp512.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp85.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp450.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp502.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp259.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp488.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp468.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp349.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp407.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp489.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp505.png?nolink |}}
{{:chemogenomics:comparison_plots:exp21_vs_exp214.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp443.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp214.png?nolink |}}
{{:chemogenomics:comparison_plots:exp214_vs_exp359.png?nolink |}}
^GO Term^Fold Change^Genes^
|mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1)|306.85|ATP5F1B,ATP5F1E|
|proton-transporting ATP synthase complex, catalytic core F(1)|245.48|ATP5F1B,ATP5F1E|
|mitochondrial respiratory chain complex assembly|28.22|NDUFB10,TIMM21,NDUFAF1,SCO2|
|oxidative phosphorylation|24.80|NDUFB10,ATP5F1B,NDUFAF1,ATP5F1E|
|inner mitochondrial membrane protein complex|23.25|NDUFB10,TIMM21,ATP5F1B,NDUFAF1,ATP5F1E|
|cellular respiration|18.16|NDUFB10,ATP5F1B,NDUFAF1,ATP5F1E,SCO2|
|mitochondrial protein-containing complex|15.68|SLC25A5,NDUFB10,TIMM21,ATP5F1B,NDUFAF1,MRPL55,ATP5F1E|
|mitochondrial inner membrane|13.40|SLC25A5,BCL2L1,NDUFB10,TIMM21,ATP5F1B,RCC1L,NDUFAF1,MRPL55,ATP5F1E,SCO2|
|organelle inner membrane|13.24|SLC25A5,BCL2L1,NDUFB10,TIMM21,ATP5F1B,RCC1L,NDUFAF1,MRPL55,ATP1B4,ATP5F1E,SCO2|
|energy derivation by oxidation of organic compounds|13.11|NDUFB10,ATP5F1B,NDUFAF1,ATP5F1E,SCO2|
|mitochondrion organization|11.69|SLC25A5,BCL2L1,NDUFB10,TIMM21,RCC1L,ATG9A,NDUFAF1,SCO2|
|generation of precursor metabolites and energy|9.79|NDUFB10,ATP5F1B,NDUFAF1,G6PD,ATP5F1E,SCO2|
|mitochondrial membrane|9.58|SLC25A5,BCL2L1,NDUFB10,TIMM21,ATP5F1B,RCC1L,ATG9A,NDUFAF1,MRPL55,ATP5F1E,SCO2|
|mitochondrial matrix|9.06|SLC25A5,BCL2L1,ATP5F1B,NDUFAF1,MRPL55,ATP5F1E,SCO2|
|mitochondrial envelope|8.99|SLC25A5,BCL2L1,NDUFB10,TIMM21,ATP5F1B,RCC1L,ATG9A,NDUFAF1,MRPL55,ATP5F1E,SCO2|
^GO Term^Fold Change^Genes^
|tRNA wobble position uridine thiolation|368.22|MOCS3,CTU2|
|tRNA thio-modification|276.17|MOCS3,CTU2|
|isocitrate metabolic process|220.93|IDH1,ACO2|
|glucose 6-phosphate metabolic process|82.85|HK2,PGLS,TKT|
|purine nucleotide metabolic process|9.69|PGLS,IDH1,TKT,HINT1,ATIC,SLC4A7,IMPDH2|
|nucleotide metabolic process|9.65|PGLS,IDH1,TKT,HINT1,AK6,ATIC,SLC4A7,IMPDH2|
|nucleoside phosphate metabolic process|9.46|PGLS,IDH1,TKT,HINT1,AK6,ATIC,SLC4A7,IMPDH2|
|purine-containing compound metabolic process|9.05|PGLS,IDH1,TKT,HINT1,ATIC,SLC4A7,IMPDH2|
|nucleobase-containing small molecule metabolic process|8.24|PGLS,IDH1,TKT,HINT1,AK6,ATIC,SLC4A7,IMPDH2|
|organophosphate metabolic process|7.03|PFKP,HK2,PGLS,IDH1,TKT,MOCS3,HINT1,AK6,ATIC,SLC4A7,IMPDH2|
|carbohydrate derivative metabolic process|5.43|PFKP,HK2,STT3B,PGLS,TKT,HINT1,ATIC,IMPDH2,MAGT1|