====== QNZ 0.01μM R08 exp439 ======
==== Mechanism of Action ====
Inhibits NF-κB activation, TNF-α production
* **Class / Subclass 1:** Gene Regulation / Transcription Inhibitor
* **Class / Subclass 2:** Signal Transduction / Apoptosis Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%6-Amino-4-(4-phenoxyphenylethylamino)quinazoline%%
* **Synonyms:** EVP4593
* **CAS #:** 545380-34-5
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/509554|509554]]
* **IUPAC:** %%4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine%%
* **INCHI Name:** InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
* **INCHI Key:** IBAKVEUZKHOWNG-UHFFFAOYSA-N
* **Molecular Weight:** 356.4
* **Canonical SMILES:** C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC3=NC=NC4=C3C=C(C=C4)N
* **Isomeric SMILES:** N/A
* **Molecular Formula:** C22H20N4O
{{:chemogenomics:structures:chem-0146.svg?nolink}}
* **Supplier Name:** Toronto Research Chemicals
* **Catalog #:** A621350
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C22H20N4O 357.17099; found 357.17163
* **Platform ID:** QNZ
* **Min:** -6.9131; **Max:** 34.7243
{{:chemogenomics:dose_response:dr_619.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |0.0002 |
| IC20 |0.0016 |
| IC30 |0.0065 |
| IC40 |0.0202 |
| IC50 |N/A |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 10nM
* **Days of incubation**: 8
* **Doublings**: 2.7
* **Numbers of reads**: 18688792
==== 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^
|7/32|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/QNZ_0.01uM_Round-8_exp439.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp439.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GOT1|GOT1]]|-4.36|<0.01|
|[[:human_genes:P:PFKP|PFKP]]|-3.00|<0.01|
|[[:human_genes:H:HADH|HADH]]|-2.93|<0.01|
|[[:human_genes:S:SUCLG1|SUCLG1]]|-2.90|<0.01|
|[[:human_genes:G:GCDH|GCDH]]|-2.80|0.01|
|[[:human_genes:S:SUCLA2|SUCLA2]]|-2.77|0.01|
|[[:human_genes:A:AHCYL1|AHCYL1]]|-2.75|0.04|
|[[:human_genes:D:DLST|DLST]]|-2.60|0.08|
|[[:human_genes:O:OTUB1|OTUB1]]|-2.59|0.05|
|[[:human_genes:N:NPRL3|NPRL3]]|-2.54|0.10|
|[[:human_genes:A:ATP1A1|ATP1A1]]|-2.53|0.07|
|[[:human_genes:M:MDM2|MDM2]]|-2.53|0.10|
|[[:human_genes:U:UBE2QL1|UBE2QL1]]|-2.52|0.20|
|[[:human_genes:P:PRKAA1|PRKAA1]]|-2.47|0.05|
|[[:human_genes:T:TBC1D3L|TBC1D3L]]|-2.46|0.34|
|[[:human_genes:L:LIPT1|LIPT1]]|-2.45|0.05|
|[[:human_genes:T:TBC1D3K|TBC1D3K]]|-2.45|0.34|
|[[:human_genes:H:HPRT1|HPRT1]]|-2.44|0.05|
|[[:human_genes:A:AMBRA1|AMBRA1]]|-2.44|0.08|
|[[:human_genes:O:OR4F21|OR4F21]]|-2.42|0.26|
|[[:human_genes:T:TBC1D3E|TBC1D3E]]|-2.38|0.36|
|[[:human_genes:P:PIGO|PIGO]]|-2.37|0.19|
|[[:human_genes:C:CCDC47|CCDC47]]|-2.33|0.08|
|[[:human_genes:T:TBC1D3I|TBC1D3I]]|-2.32|0.37|
|[[:human_genes:D:DCP1A|DCP1A]]|-2.32|0.08|
|[[:human_genes:L:LIPT2|LIPT2]]|-2.27|0.25|
|[[:human_genes:C:C8orf47|C8orf47]]|-2.25|0.10|
|[[:human_genes:Y:YRDC|YRDC]]|-2.17|0.47|
|[[:human_genes:A:ACIN1|ACIN1]]|-2.16|0.22|
|[[:human_genes:A:ADK|ADK]]|-2.16|0.14|
|[[:human_genes:S:SPATA4|SPATA4]]|2.33|0.04|
|[[:human_genes:C:CTU2|CTU2]]|2.35|0.05|
|[[:human_genes:M:MARCH5|MARCH5]]|2.36|0.05|
|[[:human_genes:S:SELRC1|SELRC1]]|2.39|0.03|
|[[:human_genes:D:DARS2|DARS2]]|2.44|0.18|
|[[:human_genes:G:G3BP1|G3BP1]]|2.45|0.02|
|[[:human_genes:D:DPH1|DPH1]]|2.47|0.02|
|[[:human_genes:G:G6PD|G6PD]]|2.48|0.02|
|[[:human_genes:I:IKZF1|IKZF1]]|2.50|0.02|
|[[:human_genes:N:NARS2|NARS2]]|2.51|0.02|
|[[:human_genes:T:TP53|TP53]]|2.52|0.03|
|[[:human_genes:A:ATP5B|ATP5B]]|2.57|0.02|
|[[:human_genes:A:ATP5O|ATP5O]]|2.58|0.02|
|[[:human_genes:A:ACSL4|ACSL4]]|2.61|0.02|
|[[:human_genes:M:MTHFD2|MTHFD2]]|2.62|0.02|
|[[:human_genes:R:RBM7|RBM7]]|2.63|0.04|
|[[:human_genes:P:PMVK|PMVK]]|2.67|0.02|
|[[:human_genes:F:FAF2|FAF2]]|2.72|0.03|
|[[:human_genes:S:SLC25A3|SLC25A3]]|2.76|<0.01|
|[[:human_genes:K:KDM3B|KDM3B]]|2.76|0.02|
|[[:human_genes:A:ATP5A1|ATP5A1]]|2.81|0.02|
|[[:human_genes:P:PTPMT1|PTPMT1]]|2.86|0.04|
|[[:human_genes:S:SLC25A52|SLC25A52]]|2.89|<0.01|
|[[:human_genes:A:ACSL3|ACSL3]]|3.14|<0.01|
|[[:human_genes:S:SHMT2|SHMT2]]|3.34|<0.01|
|[[:human_genes:I:IPPK|IPPK]]|3.38|<0.01|
|[[:human_genes:C:C7orf26|C7orf26]]|3.57|<0.01|
|[[:human_genes:I:IPMK|IPMK]]|3.84|<0.01|
|[[:human_genes:I:ITPK1|ITPK1]]|4.10|<0.01|
|[[:human_genes:S:SLC25A51|SLC25A51]]|4.79|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp431|Rotenone 0.07μM R08 exp431]]|0.212||
|[[:results:exp529|Thimerosal 0.85μM R08 exp529]]|0.066||
|[[:results:exp492|iCRT14 30μM R08 exp492]]|0.057||
|[[:results:exp48|Mubritinib 0.2μM R01 exp48]]|0.134||
|[[:results:exp13|Chloramphenicol 20μM R00 exp13]]|0.107||
|[[:results:exp212|Phenformin 20μM R05 exp212]]|0.105||
|[[:results:exp241|QNZ 0.01μM R05 exp241]]|0.099||
|[[:results:exp447|Amiloride 100μM R08 exp447]]|0.093||
|[[:results:exp380|NMS-873 0.07μM R07 exp380]]|0.088||
|[[:results:exp65|Mubritinib 0.2μM R02 exp65]]|0.083||
|[[:results:exp290|LLY-283 2.6μM R06 exp290]]|0.063||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.059||
|[[:results:exp275|Citral 75μM R06 exp275]]|0.058||
|[[:results:exp135|MS023 7μM R03 exp135]]|0.057||
|[[:results:exp143|Phenformin 20μM R03 exp143]]|0.056||
|[[:results:exp274|Citral 50μM R06 exp274]]|0.055||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.054||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.053||
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.053||
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.053||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.052||
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.052||
{{:chemogenomics:comparison_plots:exp431_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp529.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp492.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp48.png?nolink |}}
{{:chemogenomics:comparison_plots:exp13_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp212_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp447.png?nolink |}}
{{:chemogenomics:comparison_plots:exp380_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp65.png?nolink |}}
{{:chemogenomics:comparison_plots:exp290_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp488.png?nolink |}}
{{:chemogenomics:comparison_plots:exp275_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp135_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp143_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp274_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp503.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp451.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp445.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp466.png?nolink |}}
{{:chemogenomics:comparison_plots:exp439_vs_exp489.png?nolink |}}
{{:chemogenomics:comparison_plots:exp116_vs_exp439.png?nolink |}}
^GO Term^Fold Change^Genes^
|succinate-CoA ligase activity|613.67|SUCLG1,SUCLA2|
|GMP salvage|306.83|HPRT1,ADK|
|protein lipoylation|306.83|LIPT1,LIPT2|
|succinyl-CoA metabolic process|204.56|SUCLG1,SUCLA2,DLST|
|purine ribonucleoside salvage|204.56|HPRT1,ADK|
|tricarboxylic acid cycle|57.53|SUCLG1,SUCLA2,DLST|
|acyl-CoA metabolic process|28.21|SUCLG1,GCDH,SUCLA2,DLST|
|purine nucleoside bisphosphate metabolic process|21.34|SUCLG1,GCDH,SUCLA2,DLST|
|ribonucleoside bisphosphate metabolic process|21.34|SUCLG1,GCDH,SUCLA2,DLST|
|nucleoside bisphosphate metabolic process|21.34|SUCLG1,GCDH,SUCLA2,DLST|
|purine ribonucleotide metabolic process|11.58|SUCLG1,GCDH,SUCLA2,DLST,HPRT1,ADK|
|ribonucleotide metabolic process|10.93|SUCLG1,GCDH,SUCLA2,DLST,HPRT1,ADK|
|ribose phosphate metabolic process|10.67|SUCLG1,GCDH,SUCLA2,DLST,HPRT1,ADK|
|purine nucleotide metabolic process|9.27|SUCLG1,GCDH,SUCLA2,DLST,HPRT1,ADK|
|mitochondrial matrix|9.06|HADH,SUCLG1,GCDH,SUCLA2,DLST,LIPT1,LIPT2|
|carboxylic acid metabolic process|6.86|GOT1,PFKP,HADH,GCDH,SUCLA2,DLST,PRKAA1,LIPT1,LIPT2|
|oxoacid metabolic process|6.68|GOT1,PFKP,HADH,GCDH,SUCLA2,DLST,PRKAA1,LIPT1,LIPT2|
|organic acid metabolic process|6.62|GOT1,PFKP,HADH,GCDH,SUCLA2,DLST,PRKAA1,LIPT1,LIPT2|
|organophosphate metabolic process|5.70|PFKP,SUCLG1,GCDH,SUCLA2,DLST,HPRT1,PIGO,ADK|
^GO Term^Fold Change^Genes^
|palmitoyl-CoA ligase activity|552.30|ACSL3,ACSL4|
|angiostatin binding|368.20|ATP5F1A,ATP5F1B|
|proton-transporting ATP synthase complex, catalytic core F(1)|331.38|ATP5F1A,ATP5PO,ATP5F1B|
|proton-transporting ATP synthase activity, rotational mechanism|118.35|ATP5F1A,ATP5PO,ATP5F1B|
|mitochondrial proton-transporting ATP synthase complex|110.46|ATP5F1A,ATP5PO,ATP5F1B|
|proton-transporting two-sector ATPase complex, catalytic domain|97.46|ATP5F1A,ATP5PO,ATP5F1B|
|necroptotic process|87.21|ITPK1,IPMK,TP53|
|ligase activity|24.62|ACSL3,ATP5F1A,ACSL4,ATP5PO,ATP5F1B,NARS2,DARS2|
|ribose phosphate biosynthetic process|17.08|ACSL3,ATP5F1A,ACSL4,ATP5PO,ATP5F1B,G6PD|
|purine-containing compound biosynthetic process|15.13|SHMT2,ACSL3,ATP5F1A,ACSL4,ATP5PO,ATP5F1B|
|organophosphate biosynthetic process|10.70|IPMK,IPPK,ACSL3,PTPMT1,ATP5F1A,PMVK,ACSL4,ATP5PO,ATP5F1B,G6PD|
|purine-containing compound metabolic process|10.40|SHMT2,ACSL3,ATP5F1A,PMVK,ACSL4,ATP5PO,ATP5F1B,G6PD|
|purine nucleotide metabolic process|9.74|ACSL3,ATP5F1A,PMVK,ACSL4,ATP5PO,ATP5F1B,G6PD|
|mitochondrial inner membrane|9.65|SLC25A51,SHMT2,SLC25A52,PTPMT1,ATP5F1A,SLC25A3,ATP5PO,ATP5F1B|
|mitochondrial envelope|8.83|SLC25A51,SHMT2,ACSL3,SLC25A52,PTPMT1,ATP5F1A,SLC25A3,ACSL4,ATP5PO,ATP5F1B,COA7,MARCHF5|
|organelle inner membrane|8.66|SLC25A51,SHMT2,SLC25A52,PTPMT1,ATP5F1A,SLC25A3,ATP5PO,ATP5F1B|
|mitochondrial membrane|8.62|SLC25A51,SHMT2,ACSL3,SLC25A52,PTPMT1,ATP5F1A,SLC25A3,ACSL4,ATP5PO,ATP5F1B,MARCHF5|
|nucleobase-containing small molecule metabolic process|8.29|SHMT2,ACSL3,ATP5F1A,PMVK,ACSL4,ATP5PO,ATP5F1B,G6PD|
|organophosphate metabolic process|7.06|ITPK1,IPMK,IPPK,ACSL3,PTPMT1,ATP5F1A,PMVK,ACSL4,ATP5PO,ATP5F1B,G6PD|