====== QNZ 0.01μM R05 exp241 ======
==== 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:** 5.7879; **Max:** 89.7941
{{:chemogenomics:dose_response:dr_235.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |N/A |
| IC30 |0.0006 |
| IC40 |0.0166 |
| IC50 |0.3525 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 05
* **Dose**: 10nM
* **Days of incubation**: 8
* **Doublings**: 4.4
* **Numbers of reads**: 14834962
==== 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^
|5/9|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/QNZ_0.01uM_Round-5_exp241.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp241.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GOT1|GOT1]]|-5.26|<0.01|
|[[:human_genes:R:RSRC2|RSRC2]]|-3.41|0.05|
|[[:human_genes:P:PDXK|PDXK]]|-3.21|<0.01|
|[[:human_genes:S:SUCLG1|SUCLG1]]|-3.20|<0.01|
|[[:human_genes:W:WSB1|WSB1]]|-2.83|0.04|
|[[:human_genes:N:NNT|NNT]]|-2.83|0.06|
|[[:human_genes:A:ALDOA|ALDOA]]|-2.77|0.29|
|[[:human_genes:L:LIAS|LIAS]]|-2.60|0.04|
|[[:human_genes:H:HPRT1|HPRT1]]|-2.59|0.07|
|[[:human_genes:G:GSR|GSR]]|-2.45|0.10|
|[[:human_genes:G:GCLC|GCLC]]|-2.44|0.10|
|[[:human_genes:S:SLC16A1|SLC16A1]]|-2.39|0.12|
|[[:human_genes:B:BSG|BSG]]|-2.38|0.17|
|[[:human_genes:L:LIPT2|LIPT2]]|-2.36|0.12|
|[[:human_genes:E:ELAVL1|ELAVL1]]|-2.35|0.10|
|[[:human_genes:G:GCLM|GCLM]]|-2.34|0.10|
|[[:human_genes:T:TRIM54|TRIM54]]|-2.27|0.11|
|[[:human_genes:B:BIRC2|BIRC2]]|-2.24|0.17|
|[[:human_genes:E:ECHS1|ECHS1]]|-2.23|0.12|
|[[:human_genes:R:RPE|RPE]]|-2.23|0.17|
|[[:human_genes:P:PNPO|PNPO]]|-2.17|0.19|
|[[:human_genes:C:CADPS|CADPS]]|-2.17|0.19|
|[[:human_genes:I:IDH2|IDH2]]|-2.13|0.17|
|[[:human_genes:G:GCDH|GCDH]]|-2.12|0.21|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.12|0.17|
|[[:human_genes:M:MECR|MECR]]|-2.11|0.17|
|[[:human_genes:A:ALG1L|ALG1L]]|-2.11|0.21|
|[[:human_genes:S:SEPHS2|SEPHS2]]|-2.11|0.17|
|[[:human_genes:T:TBL1XR1|TBL1XR1]]|-2.09|0.22|
|[[:human_genes:V:VPS39|VPS39]]|-2.06|0.19|
|[[:human_genes:T:TMSB15B|TMSB15B]]|2.20|0.46|
|[[:human_genes:M:MINOS1|MINOS1]]|2.24|0.12|
|[[:human_genes:S:SLC25A32|SLC25A32]]|2.24|0.12|
|[[:human_genes:U:UBAP2L|UBAP2L]]|2.26|0.09|
|[[:human_genes:L:LARS2|LARS2]]|2.26|0.12|
|[[:human_genes:M:MOAP1|MOAP1]]|2.27|0.09|
|[[:human_genes:T:TADA2A|TADA2A]]|2.28|0.09|
|[[:human_genes:F:FXYD5|FXYD5]]|2.28|0.11|
|[[:human_genes:X:XPNPEP3|XPNPEP3]]|2.28|0.09|
|[[:human_genes:A:ATP5D|ATP5D]]|2.29|0.11|
|[[:human_genes:G:G3BP2|G3BP2]]|2.29|0.09|
|[[:human_genes:S:SLC7A1|SLC7A1]]|2.29|0.24|
|[[:human_genes:T:TFDP1|TFDP1]]|2.30|0.16|
|[[:human_genes:A:ACSL3|ACSL3]]|2.33|0.10|
|[[:human_genes:Z:ZNF626|ZNF626]]|2.37|0.08|
|[[:human_genes:C:CTU2|CTU2]]|2.37|0.09|
|[[:human_genes:O:OR1L8|OR1L8]]|2.39|0.09|
|[[:human_genes:A:ATP5A1|ATP5A1]]|2.45|0.09|
|[[:human_genes:S:SCAP|SCAP]]|2.46|0.09|
|[[:human_genes:I:IPMK|IPMK]]|2.47|0.05|
|[[:human_genes:A:ANO5|ANO5]]|2.48|0.05|
|[[:human_genes:O:OTUD4|OTUD4]]|2.50|0.05|
|[[:human_genes:A:ATP5C1|ATP5C1]]|2.56|0.07|
|[[:human_genes:I:ITPK1|ITPK1]]|2.71|0.02|
|[[:human_genes:A:ATP5E|ATP5E]]|2.71|0.10|
|[[:human_genes:P:PRPS1|PRPS1]]|2.91|<0.01|
|[[:human_genes:A:ATP5B|ATP5B]]|2.96|<0.01|
|[[:human_genes:A:ATP5O|ATP5O]]|2.99|<0.01|
|[[:human_genes:G:GPT2|GPT2]]|3.16|<0.01|
|[[:human_genes:S:SLC25A51|SLC25A51]]|4.48|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp431|Rotenone 0.07μM R08 exp431]]|0.108||
|[[:results:exp439|QNZ 0.01μM R08 exp439]]|0.099||
|[[:results:exp248|UM0131023 0.05μM R05 exp248]]|0.062||
|[[:results:exp492|iCRT14 30μM R08 exp492]]|0.057||
|[[:results:exp380|NMS-873 0.07μM R07 exp380]]|0.107||
|[[:results:exp212|Phenformin 20μM R05 exp212]]|0.103||
|[[:results:exp48|Mubritinib 0.2μM R01 exp48]]|0.094||
|[[:results:exp65|Mubritinib 0.2μM R02 exp65]]|0.093||
|[[:results:exp13|Chloramphenicol 20μM R00 exp13]]|0.084||
|[[:results:exp143|Phenformin 20μM R03 exp143]]|0.079||
|[[:results:exp274|Citral 50μM R06 exp274]]|0.06||
|[[:results:exp342|Calcium Ionophore 0.4μM R07 exp342]]|0.055||
{{:chemogenomics:comparison_plots:exp241_vs_exp431.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp439.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp248.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp492.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp380.png?nolink |}}
{{:chemogenomics:comparison_plots:exp212_vs_exp241.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp48.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp65.png?nolink |}}
{{:chemogenomics:comparison_plots:exp13_vs_exp241.png?nolink |}}
{{:chemogenomics:comparison_plots:exp143_vs_exp241.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp274.png?nolink |}}
{{:chemogenomics:comparison_plots:exp241_vs_exp342.png?nolink |}}
^GO Term^Fold Change^Genes^
|response to human chorionic gonadotropin|306.85|GCLC,GCLM|
|glutamate metabolic process|65.75|GOT1,GCLC,GCLM|
|tricarboxylic acid cycle|57.53|SUCLG1,NNT,IDH2|
|pyridine-containing compound metabolic process|40.91|PDXK,NNT,RPE,PNPO,IDH2|
|dicarboxylic acid metabolic process|27.90|GOT1,GCLC,GCLM,IDH2|
|alpha-amino acid metabolic process|15.74|GOT1,GCLC,GCLM,GCDH,SEPHS2|
|amino acid metabolic process|13.39|GOT1,GCLC,GCLM,ECHS1,GCDH,SEPHS2|
|purine nucleotide metabolic process|10.77|SUCLG1,NNT,ALDOA,HPRT1,RPE,IDH2,GCDH|
|mitochondrial matrix|10.36|SUCLG1,LIAS,GSR,LIPT2,ECHS1,IDH2,GCDH,MECR|
|purine-containing compound metabolic process|10.06|SUCLG1,NNT,ALDOA,HPRT1,RPE,IDH2,GCDH|
|small molecule biosynthetic process|9.59|GOT1,PDXK,LIAS,HPRT1,PNPO,MECR,SEPHS2|
|nucleotide metabolic process|9.38|SUCLG1,NNT,ALDOA,HPRT1,RPE,IDH2,GCDH|
|nucleoside phosphate metabolic process|9.20|SUCLG1,NNT,ALDOA,HPRT1,RPE,IDH2,GCDH|
|carboxylic acid metabolic process|9.13|GOT1,ALDOA,LIAS,GCLC,SLC16A1,LIPT2,GCLM,ECHS1,IDH2,GCDH,MECR,SEPHS2|
|oxoacid metabolic process|8.88|GOT1,ALDOA,LIAS,GCLC,SLC16A1,LIPT2,GCLM,ECHS1,IDH2,GCDH,MECR,SEPHS2|
|organic acid metabolic process|8.81|GOT1,ALDOA,LIAS,GCLC,SLC16A1,LIPT2,GCLM,ECHS1,IDH2,GCDH,MECR,SEPHS2|
|monocarboxylic acid metabolic process|8.54|ALDOA,LIAS,SLC16A1,ECHS1,IDH2,GCDH,MECR|
|nucleobase-containing small molecule metabolic process|8.01|SUCLG1,NNT,ALDOA,HPRT1,RPE,IDH2,GCDH|
|organophosphate metabolic process|6.39|PDXK,SUCLG1,NNT,ALDOA,HPRT1,RPE,PNPO,IDH2,GCDH|
^GO Term^Fold Change^Genes^
|mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1)|552.33|ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A|
|proton-transporting ATP synthase complex, catalytic core F(1)|552.33|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A|
|proton-transporting ATP synthase activity, rotational mechanism|236.71|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|mitochondrial proton-transporting ATP synthase complex|220.93|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton-transporting two-sector ATPase complex, catalytic domain|194.94|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton-transporting ATP synthase complex|172.60|ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton channel activity|125.53|ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton-transporting two-sector ATPase complex|73.64|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton motive force-driven mitochondrial ATP synthesis|62.53|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|proton motive force-driven ATP synthesis|55.23|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|ATP biosynthetic process|47.34|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|oxidative phosphorylation|39.05|SLC25A51,ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D|
|aerobic respiration|31.34|SLC25A51,ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D,MDH1|
|inner mitochondrial membrane protein complex|29.29|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D,MICOS10|
|ligase activity|27.79|ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ACSL3,ATP5F1D,LARS2|
|cellular respiration|26.15|SLC25A51,ATP5PO,ATP5F1B,ATP5F1E,ATP5F1C,ATP5F1A,ATP5F1D,MDH1|
|ribose phosphate biosynthetic process|22.43|ATP5PO,ATP5F1B,PRPS1,ATP5F1E,ATP5F1C,ATP5F1A,ACSL3,ATP5F1D|
|purine nucleotide biosynthetic process|20.84|ATP5PO,ATP5F1B,PRPS1,ATP5F1E,ATP5F1C,ATP5F1A,ACSL3,ATP5F1D|
|purine-containing compound biosynthetic process|19.99|ATP5PO,ATP5F1B,PRPS1,ATP5F1E,ATP5F1C,ATP5F1A,ACSL3,ATP5F1D|