====== WYE-354 6μM R02 exp90 ======
==== Mechanism of Action ====
Inhibits mTORC1 and mTORC2, ATP-competitive inhibitor
* **Class / Subclass 1:** Signal Transduction / Kinase Inhibitor
* **Class / Subclass 2:** Proteostasis / mTOR inhibitor
==== Technical Notes ====
* **PubChem Name:** %%CID 44219749%%
* **Synonyms:** N/A
* **CAS #:** 1062169-56-5
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/44219749|44219749]]
* **IUPAC:** %%methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate%%
* **INCHI Name:** InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)
* **INCHI Key:** IMXHGCRIEAKIBU-UHFFFAOYSA-N
* **Molecular Weight:** 495.5
* **Canonical SMILES:** COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5
* **Isomeric SMILES:** N/A
* **Molecular Formula:** C24H29N7O5
{{:chemogenomics:structures:chem-0066.svg?nolink}}
* **Supplier Name:** Selleck Chemicals
* **Catalog #:** S1266
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C24H29N7O5 496.23029; found 496.23044
* **Platform ID:** WYE-354
* **Min:** -8.8886; **Max:** 64.9280
{{:chemogenomics:dose_response:dr_30.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |0.3091 |
| IC30 |0.5848 |
| IC40 |0.9864 |
| IC50 |1.5936 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 02
* **Dose**: 6µM
* **Days of incubation**: 8
* **Doublings**: 2.3
* **Numbers of reads**: 8071417
==== 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^
|25/3|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/WYE-354_6uM_Round-2_exp90.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp90.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-4.44|<0.01|
|[[:human_genes:S:SPTLC1|SPTLC1]]|-4.36|<0.01|
|[[:human_genes:V:VKORC1L1|VKORC1L1]]|-3.57|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-3.40|<0.01|
|[[:human_genes:S:SGMS1|SGMS1]]|-3.38|<0.01|
|[[:human_genes:C:CYB561D2|CYB561D2]]|-3.37|<0.01|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-3.25|<0.01|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-3.22|<0.01|
|[[:human_genes:S:SPTLC2|SPTLC2]]|-3.04|<0.01|
|[[:human_genes:O:OSBP|OSBP]]|-2.96|<0.01|
|[[:human_genes:C:CEPT1|CEPT1]]|-2.83|0.01|
|[[:human_genes:A:AEN|AEN]]|-2.80|<0.01|
|[[:human_genes:A:ARL1|ARL1]]|-2.78|<0.01|
|[[:human_genes:T:TCF4|TCF4]]|-2.71|<0.01|
|[[:human_genes:P:PI4KB|PI4KB]]|-2.71|<0.01|
|[[:human_genes:S:SOX4|SOX4]]|-2.68|0.04|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.61|0.02|
|[[:human_genes:J:JTB|JTB]]|-2.59|0.01|
|[[:human_genes:M:MAEA|MAEA]]|-2.55|0.02|
|[[:human_genes:C:C10orf76|C10orf76]]|-2.54|0.02|
|[[:human_genes:C:C12orf23|C12orf23]]|-2.52|0.04|
|[[:human_genes:C:COPE|COPE]]|-2.52|0.52|
|[[:human_genes:W:WDR26|WDR26]]|-2.46|0.09|
|[[:human_genes:U:UXS1|UXS1]]|-2.46|0.02|
|[[:human_genes:S:SAFB|SAFB]]|-2.42|0.10|
|[[:human_genes:H:HNF1A|HNF1A]]|-2.38|0.04|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.36|0.22|
|[[:human_genes:C:CDK6|CDK6]]|-2.34|0.04|
|[[:human_genes:C:CENPM|CENPM]]|-2.33|0.38|
|[[:human_genes:S:SETD8|SETD8]]|-2.33|0.13|
|[[:human_genes:G:GPI|GPI]]|2.08|0.50|
|[[:human_genes:T:TMEM180|TMEM180]]|2.08|0.20|
|[[:human_genes:U:USP9X|USP9X]]|2.10|0.27|
|[[:human_genes:A:APCDD1|APCDD1]]|2.11|0.18|
|[[:human_genes:P:PTX3|PTX3]]|2.13|0.17|
|[[:human_genes:P:PSMB7|PSMB7]]|2.13|0.25|
|[[:human_genes:R:RANGAP1|RANGAP1]]|2.16|0.55|
|[[:human_genes:T:TRIM54|TRIM54]]|2.19|0.20|
|[[:human_genes:C:CXorf67|CXorf67]]|2.21|0.20|
|[[:human_genes:S:SRD5A3|SRD5A3]]|2.21|0.15|
|[[:human_genes:K:KTI12|KTI12]]|2.22|0.15|
|[[:human_genes:L:LEO1|LEO1]]|2.24|0.18|
|[[:human_genes:E:EIF4A1|EIF4A1]]|2.27|0.17|
|[[:human_genes:L:LLGL1|LLGL1]]|2.28|0.12|
|[[:human_genes:S:SPI1|SPI1]]|2.29|0.17|
|[[:human_genes:A:ARHGEF4|ARHGEF4]]|2.31|0.16|
|[[:human_genes:S:SLC7A1|SLC7A1]]|2.32|0.28|
|[[:human_genes:G:GRPEL1|GRPEL1]]|2.35|0.27|
|[[:human_genes:T:TMEM217|TMEM217]]|2.38|0.08|
|[[:human_genes:I:IBA57|IBA57]]|2.41|0.07|
|[[:human_genes:C:C2CD5|C2CD5]]|2.41|0.07|
|[[:human_genes:A:AMD1|AMD1]]|2.43|0.07|
|[[:human_genes:G:GNL3|GNL3]]|2.47|0.16|
|[[:human_genes:R:RPIA|RPIA]]|2.55|0.07|
|[[:human_genes:P:POLG|POLG]]|2.63|0.07|
|[[:human_genes:S:ST6GALNAC1|ST6GALNAC1]]|2.68|0.04|
|[[:human_genes:N:NUP210L|NUP210L]]|2.69|0.07|
|[[:human_genes:Z:ZNF688|ZNF688]]|2.78|0.12|
|[[:human_genes:P:PTEN|PTEN]]|2.86|0.02|
|[[:human_genes:C:CMAS|CMAS]]|3.79|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp538|ZLN024 50μM R08 exp538]]|0.061||
|[[:results:exp38|Wortmannin 5μM R00 exp38]]|0.053||
|[[:results:exp169|BH1 1μM R04 exp169]]|0.098||
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.084||
|[[:results:exp461|BS-181 20μM R08 exp461]]|0.082||
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.075||
|[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.071||
|[[:results:exp469|CFI-400945 25μM R08 exp469]]|0.07||
|[[:results:exp67|BVD-523 15μM R02 exp67]]|0.07||
|[[:results:exp504|MK2206 4μM R08 exp504]]|0.07||
|[[:results:exp359|FK-506 30μM R07 exp359]]|0.068||
|[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.067||
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.067||
|[[:results:exp269|Bisphenol A 100μM R06 exp269]]|0.062||
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.062||
|[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.061||
|[[:results:exp78|Pterostilbene 16μM R02 exp78]]|0.061||
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.06||
|[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.057||
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.057||
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.056||
|[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.056||
|[[:results:exp79|Q15 2.7μM R02 exp79]]|0.054||
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.052||
|[[:results:exp77|Prochlorperazine 5.2μM R02 exp77]]|0.051||
|[[:results:exp89|Vemurafenib 6.6μM R02 exp89]]|0.051||
{{:chemogenomics:comparison_plots:exp538_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp38_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp169_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp466_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp461_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp224_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp47_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp469_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp67_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp504_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp359_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp68_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp445_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp269_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp344_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp227_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp78_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp530_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp507_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp233_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp510_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp164_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp79_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp326_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp77_vs_exp90.png?nolink |}}
{{:chemogenomics:comparison_plots:exp89_vs_exp90.png?nolink |}}
^GO Term^Fold Change^Genes^
|sphinganine metabolic process|614.22|SPTLC1,SPTLC2|
|C-palmitoyltransferase activity|307.11|SPTLC1,SPTLC2|
|GID complex|307.11|MAEA,WDR26|
|regulation of lipophagy|307.11|SPTLC1,SPTLC2|
|positive regulation of lipophagy|307.11|SPTLC1,SPTLC2|
|serine C-palmitoyltransferase activity|307.11|SPTLC1,SPTLC2|
|sphingomyelin biosynthetic process|245.69|SPTLC1,SGMS1,SPTLC2,OSBP|
|CDP-choline pathway|204.74|PCYT1A,CEPT1|
|sphingomyelin metabolic process|136.49|SPTLC1,SGMS1,SPTLC2,OSBP|
|sphingolipid biosynthetic process|24.33|SPTLC1,SGMS1,SPTLC2,OSBP|
|phospholipid biosynthetic process|18.45|SPTLC1,SGMS1,PCYT1A,SPTLC2,OSBP,CEPT1,PI4KB|
|phospholipid metabolic process|12.43|SPTLC1,SGMS1,PCYT1A,SPTLC2,OSBP,CEPT1,PI4KB|
|organophosphate biosynthetic process|8.28|SPTLC1,SGMS1,PCYT1A,SPTLC2,OSBP,CEPT1,PI4KB|
No GO term hits below threshold. (FDR <0.05)