====== ZLN024 50μM R08 exp538 ======
==== Mechanism of Action ====
Activates AMPK, allosteric
* **Class / Subclass 1:** Signal Transduction / Kinase Activator
==== Technical Notes ====
* **PubChem Name:** %%ZLN024 hydrochloride%%
* **Synonyms:** N/A
* **CAS #:** 1883548-91-1
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/91654626|91654626]]
* **IUPAC:** %%2-[2-(2-bromo-4-methylphenoxy)ethylsulfanyl]pyrimidine;hydrochloride%%
* **INCHI Name:** InChI=1S/C13H13BrN2OS.ClH/c1-10-3-4-12(11(14)9-10)17-7-8-18-13-15-5-2-6-16-13;/h2-6,9H,7-8H2,1H3;1H
* **INCHI Key:** MMQCYIMDROWWFE-UHFFFAOYSA-N
* **Molecular Weight:** 361.69
* **Canonical SMILES:** CC1=CC(=C(C=C1)OCCSC2=NC=CC=N2)Br.Cl
* **Isomeric SMILES:** N/A
* **Molecular Formula:** C13H14BrClN2OS
{{:chemogenomics:structures:chem-0342.svg?nolink}}
* **Supplier Name:** Med Chem Express
* **Catalog #:** HY-16708A
* **Lot #:** 14644
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C13H13BrN2OS 325.00047; found 325.00098
* **Platform ID:** ZLN024
* **Min:** -4.5126; **Max:** 42.3824
{{:chemogenomics:dose_response:dr_598.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |N/A |
| IC30 |N/A |
| IC40 |N/A |
| IC50 |N/A |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 08
* **Dose**: 50µM
* **Days of incubation**: 8
* **Doublings**: 5.5
* **Numbers of reads**: 15051894
==== 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^
|10/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/ZLN024_50uM_Round-8_exp538.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp538.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SPTLC1|SPTLC1]]|-4.04|<0.01|
|[[:human_genes:K:KDSR|KDSR]]|-3.59|<0.01|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-3.24|<0.01|
|[[:human_genes:C:CHKA|CHKA]]|-3.24|<0.01|
|[[:human_genes:S:SPTLC2|SPTLC2]]|-3.18|<0.01|
|[[:human_genes:M:MS4A13|MS4A13]]|-2.96|0.42|
|[[:human_genes:A:ACSL1|ACSL1]]|-2.79|<0.01|
|[[:human_genes:C:C22orf23|C22orf23]]|-2.79|0.05|
|[[:human_genes:S:SPTSSA|SPTSSA]]|-2.77|0.01|
|[[:human_genes:S:SCAP|SCAP]]|-2.74|0.01|
|[[:human_genes:T:TCF4|TCF4]]|-2.47|0.04|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.44|0.09|
|[[:human_genes:C:CDIPT|CDIPT]]|-2.44|0.27|
|[[:human_genes:A:ACACA|ACACA]]|-2.40|0.10|
|[[:human_genes:D:DNAJC3|DNAJC3]]|-2.40|0.06|
|[[:human_genes:P:PDSS1|PDSS1]]|-2.40|0.10|
|[[:human_genes:U:UACA|UACA]]|-2.33|0.09|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-2.29|0.09|
|[[:human_genes:S:SUPV3L1|SUPV3L1]]|-2.25|0.27|
|[[:human_genes:S:SMIM11A|SMIM11A]]|-2.25|0.62|
|[[:human_genes:M:MBTPS1|MBTPS1]]|-2.24|0.27|
|[[:human_genes:R:RARS2|RARS2]]|-2.21|0.12|
|[[:human_genes:T:TRPM8|TRPM8]]|-2.18|0.22|
|[[:human_genes:B:BPIFA1|BPIFA1]]|-2.12|0.19|
|[[:human_genes:D:DNAJC7|DNAJC7]]|-2.10|0.21|
|[[:human_genes:P:PSKH1|PSKH1]]|-2.10|0.27|
|[[:human_genes:C:CALML4|CALML4]]|-2.08|0.35|
|[[:human_genes:Z:ZNF329|ZNF329]]|-2.07|0.22|
|[[:human_genes:C:CEPT1|CEPT1]]|-2.07|0.22|
|[[:human_genes:A:AEBP2|AEBP2]]|-2.06|0.22|
|[[:human_genes:H:HNRNPC|HNRNPC]]|1.93|0.46|
|[[:human_genes:C:C18orf32|C18orf32]]|1.93|0.79|
|[[:human_genes:P:PDS5A|PDS5A]]|1.93|0.46|
|[[:human_genes:T:TBC1D32|TBC1D32]]|1.94|0.46|
|[[:human_genes:T:TUBA1C|TUBA1C]]|1.95|0.56|
|[[:human_genes:C:CALR3|CALR3]]|1.96|0.45|
|[[:human_genes:R:RBM42|RBM42]]|1.98|0.49|
|[[:human_genes:H:HAT1|HAT1]]|1.99|0.42|
|[[:human_genes:P:PPP1R16B|PPP1R16B]]|2.00|0.42|
|[[:human_genes:P:PCGF1|PCGF1]]|2.02|0.40|
|[[:human_genes:M:MTA2|MTA2]]|2.02|0.40|
|[[:human_genes:F:FDPS|FDPS]]|2.02|0.47|
|[[:human_genes:K:KIAA1586|KIAA1586]]|2.03|0.40|
|[[:human_genes:G:GIMAP7|GIMAP7]]|2.04|0.40|
|[[:human_genes:C:COG6|COG6]]|2.12|0.36|
|[[:human_genes:C:CD47|CD47]]|2.16|0.40|
|[[:human_genes:S:SNRNP200|SNRNP200]]|2.16|0.47|
|[[:human_genes:S:SMC3|SMC3]]|2.17|0.52|
|[[:human_genes:Z:ZBTB18|ZBTB18]]|2.19|0.35|
|[[:human_genes:D:DDX3X|DDX3X]]|2.20|0.35|
|[[:human_genes:G:GPR98|GPR98]]|2.23|0.37|
|[[:human_genes:P:POLR2E|POLR2E]]|2.24|0.49|
|[[:human_genes:R:RAD54L|RAD54L]]|2.26|0.32|
|[[:human_genes:P:PSME3|PSME3]]|2.27|0.36|
|[[:human_genes:O:OPN1SW|OPN1SW]]|2.27|0.32|
|[[:human_genes:R:RAF1|RAF1]]|2.39|0.26|
|[[:human_genes:S:SF1|SF1]]|2.59|0.36|
|[[:human_genes:S:SPI1|SPI1]]|2.63|0.22|
|[[:human_genes:P:PTAR1|PTAR1]]|2.77|0.22|
|[[:human_genes:U:USP17L17|USP17L17]]|2.87|0.45|
^Screen^Correlation^Plot^
|[[:results:exp149|SB203580 25μM R03 exp149]]|0.086||
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.074||
|[[:results:exp131|L-74142 5μM R03 exp131]]|0.07||
|[[:results:exp457|Bisphenol F 50μM R08 exp457]]|0.069||
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.066||
|[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.063||
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.061||
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.061||
|[[:results:exp90|WYE-354 6μM R02 exp90]]|0.061||
|[[:results:exp169|BH1 1μM R04 exp169]]|0.059||
|[[:results:exp453|B02 10μM R08 exp453]]|0.055||
|[[:results:exp341|BRD2 inhibitor II 20μM R07 exp341]]|0.054||
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.051||
{{:chemogenomics:comparison_plots:exp149_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp461_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp131_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp457_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp326_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp47_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp182_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp508_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp538_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp169_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp453_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp341_vs_exp538.png?nolink |}}
{{:chemogenomics:comparison_plots:exp466_vs_exp538.png?nolink |}}
^GO Term^Fold Change^Genes^
|sphinganine metabolic process|690.38|SPTLC1,SPTLC2|
|C-palmitoyltransferase activity|517.78|SPTLC1,SPTLC2,SPTSSA|
|serine C-palmitoyltransferase activity|517.78|SPTLC1,SPTLC2,SPTSSA|
|serine C-palmitoyltransferase complex|295.88|SPTLC1,SPTLC2,SPTSSA|
|palmitoyltransferase complex|207.11|SPTLC1,SPTLC2,SPTSSA|
|sphingoid biosynthetic process|172.59|SPTLC1,SPTLC2,SPTSSA|
|sphingosine biosynthetic process|172.59|SPTLC1,SPTLC2,SPTSSA|
|sphingoid metabolic process|138.07|SPTLC1,KDSR,SPTLC2,SPTSSA|
|C-acyltransferase activity|115.06|SPTLC1,SPTLC2,SPTSSA|
|sphingosine metabolic process|115.06|SPTLC1,SPTLC2,SPTSSA|
|diol biosynthetic process|109.01|SPTLC1,SPTLC2,SPTSSA|
|phosphotransferase activity, for other substituted phosphate groups|98.62|DPAGT1,CDIPT,CEPT1|
|diol metabolic process|73.97|SPTLC1,SPTLC2,SPTSSA|
|polyol metabolic process|30.68|SPTLC1,SPTLC2,SPTSSA,SLC5A3|
|alcohol metabolic process|15.24|SPTLC1,SPTLC2,SPTSSA,SCAP,DPAGT1,SLC5A3,MBTPS1|
|lipid biosynthetic process|10.84|SPTLC1,KDSR,CHKA,SPTLC2,ACSL1,SPTSSA,CDIPT,ACACA,PDSS1|
|organic hydroxy compound metabolic process|10.22|SPTLC1,SPTLC2,SPTSSA,SCAP,DPAGT1,SLC5A3,MBTPS1|
|cellular lipid metabolic process|9.39|SPTLC1,KDSR,CHKA,SPTLC2,ACSL1,SPTSSA,SCAP,DPAGT1,CDIPT,ACACA,PDSS1,CEPT1|
|organophosphate biosynthetic process|9.37|SPTLC1,CHKA,SPTLC2,ACSL1,CDIPT,ACACA,CEPT1|
No GO term hits below threshold. (FDR <0.05)