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Ask your administrator if you think this is wrong. ====== FK-506 5μM R07 exp358 ====== ==== Mechanism of Action ==== Inhibits calcineurin * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Phosphatase Inhibitor ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%Tacrolimus%% * **<color #00a2e8>Synonyms:</color>** FK506; Fujimycin; FR900506 * **<color #00a2e8>CAS #:</color>** 104987-11-3 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/445643|445643]] * **<color #00a2e8>IUPAC:</color>** %%(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 * **<color #00a2e8>INCHI Key:</color>** QJJXYPPXXYFBGM-LFZNUXCKSA-N * **<color #00a2e8>Molecular Weight:</color>** 804 * **<color #00a2e8>Canonical SMILES:</color>** CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC * **<color #00a2e8>Isomeric SMILES:</color>** C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC * **<color #00a2e8>Molecular Formula:</color>** C44H69NO12 {{:chemogenomics:structures:chem-0213.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals * **<color #00a2e8>Catalog #:</color>** F370000 * **<color #00a2e8>Lot #:</color>** N/A </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+Na)+ Calcd for C44H69NO12 826.4712; found 826.47365 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** FK-506 * **<color #00a2e8>Min:</color>** -17.1824; **<color #00a2e8>Max:</color>** 93.4566 {{:chemogenomics:dose_response:dr_361.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |29.9866 | | IC30 |31.6841 | | IC40 |33.1471 | | IC50 |34.5490 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 07 * **<color #00a2e8>Dose</color>**: 5µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 6.5 * **<color #00a2e8>Numbers of reads</color>**: 21820046 ==== 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^ |8/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/FK-506_5uM_Round-7_exp358.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>| <modal id='ScorePlot' size='lg' title='FK-506 5μM R07 exp358'> {{:chemogenomics:cranks_plots:exp358.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:C:CHKA|CHKA]]|-3.79|<0.01| |[[:human_genes:F:FLVCR1|FLVCR1]]|-3.58|<0.01| |[[:human_genes:N:NME6|NME6]]|-3.44|<0.01| |[[:human_genes:P:PCYT1A|PCYT1A]]|-2.77|0.02| |[[:human_genes:N:NDUFB3|NDUFB3]]|-2.64|0.03| |[[:human_genes:S:SEPHS1|SEPHS1]]|-2.59|0.04| |[[:human_genes:Z:ZDHHC5|ZDHHC5]]|-2.56|0.07| |[[:human_genes:C:CEPT1|CEPT1]]|-2.53|0.04| |[[:human_genes:T:TCF4|TCF4]]|-2.52|0.04| |[[:human_genes:O:OR6C1|OR6C1]]|-2.33|0.17| |[[:human_genes:D:DENR|DENR]]|-2.32|0.10| |[[:human_genes:I:IWS1|IWS1]]|-2.32|0.10| |[[:human_genes:C:CUL2|CUL2]]|-2.21|0.17| |[[:human_genes:P:PLAA|PLAA]]|-2.15|0.18| |[[:human_genes:B:BFSP1|BFSP1]]|-2.15|0.18| |[[:human_genes:D:DSCR4|DSCR4]]|-2.14|0.18| |[[:human_genes:T:TSSC1|TSSC1]]|-2.14|0.18| |[[:human_genes:T:TRPV5|TRPV5]]|-2.12|0.19| |[[:human_genes:C:C6orf136|C6orf136]]|-2.11|0.19| |[[:human_genes:C:CISD1|CISD1]]|-2.07|0.38| |[[:human_genes:T:TMEM87B|TMEM87B]]|-2.06|0.25| |[[:human_genes:C:CTSV|CTSV]]|-2.03|0.28| |[[:human_genes:G:GPATCH2L|GPATCH2L]]|-1.99|0.33| |[[:human_genes:E:EIF5A|EIF5A]]|-1.95|0.51| |[[:human_genes:C:CMTM2|CMTM2]]|-1.94|0.51| |[[:human_genes:S:SPRED3|SPRED3]]|-1.93|0.42| |[[:human_genes:N:NRP2|NRP2]]|-1.92|0.42| |[[:human_genes:L:LMAN1L|LMAN1L]]|-1.91|0.69| |[[:human_genes:N:NPRL2|NPRL2]]|-1.90|0.42| |[[:human_genes:B:BPGM|BPGM]]|-1.90|0.42| |[[:human_genes:Z:ZNF217|ZNF217]]|1.91|0.55| |[[:human_genes:P:PSMA7|PSMA7]]|1.91|0.74| |[[:human_genes:P:PSMD2|PSMD2]]|1.92|0.55| |[[:human_genes:I:INO80D|INO80D]]|1.93|0.55| |[[:human_genes:A:ANKLE2|ANKLE2]]|1.98|0.55| |[[:human_genes:C:CPSF6|CPSF6]]|1.98|0.55| |[[:human_genes:C:C8orf59|C8orf59]]|1.99|0.76| |[[:human_genes:P:PRSS56|PRSS56]]|2.04|0.55| |[[:human_genes:H:HSF1|HSF1]]|2.04|0.49| |[[:human_genes:T:TRIM23|TRIM23]]|2.04|0.49| |[[:human_genes:R:RPL7L1|RPL7L1]]|2.05|0.55| |[[:human_genes:P:PUS3|PUS3]]|2.06|0.55| |[[:human_genes:T:TNNT2|TNNT2]]|2.07|0.55| |[[:human_genes:P:PPP1R1B|PPP1R1B]]|2.08|0.46| |[[:human_genes:P:PAF1|PAF1]]|2.14|0.51| |[[:human_genes:O:OR11G2|OR11G2]]|2.16|0.36| |[[:human_genes:N:NKTR|NKTR]]|2.17|0.66| |[[:human_genes:S:SPAG17|SPAG17]]|2.22|0.30| |[[:human_genes:M:MYT1L|MYT1L]]|2.23|0.55| |[[:human_genes:B:BYSL|BYSL]]|2.24|0.43| |[[:human_genes:F:FAM26D|FAM26D]]|2.26|0.27| |[[:human_genes:M:MYC|MYC]]|2.29|0.74| |[[:human_genes:K:KPNA2|KPNA2]]|2.30|0.27| |[[:human_genes:M:MYL6|MYL6]]|2.31|0.27| |[[:human_genes:P:PAN2|PAN2]]|2.33|0.27| |[[:human_genes:P:PSMC2|PSMC2]]|2.38|0.55| |[[:human_genes:Z:ZFP69B|ZFP69B]]|2.47|0.27| |[[:human_genes:R:RPSA|RPSA]]|2.63|0.55| |[[:human_genes:C:CKAP5|CKAP5]]|2.64|0.53| |[[:human_genes:P:POLD2|POLD2]]|3.04|0.27| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp149|SB203580 25μM R03 exp149]]|0.084|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.07|<button type="primary" size="small" modal="2">View</button>| |[[:results:exp183|IU1-C 25μM R04 exp183]]|0.053|<button type="primary" size="small" modal="3">View</button>| |[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.052|<button type="primary" size="small" modal="4">View</button>| |[[:results:exp326|CCT251545 20μM R07 exp326]]|0.062|<button type="primary" size="small" modal="5">View</button>| |[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.053|<button type="primary" size="small" modal="6">View</button>| |[[:results:exp467|CAY10603 0.55μM R08 exp467]]|0.052|<button type="primary" size="small" modal="7">View</button>| |[[:results:exp336|Asunaprenir 3μM R07 exp336]]|0.051|<button type="primary" size="small" modal="8">View</button>| </modal> <modal id="1" size="lg" title="FK-506 5μM R07 exp358 vs SB203580 25μM R03 exp149"> {{:chemogenomics:comparison_plots:exp149_vs_exp358.png?nolink |}} </modal> <modal id="2" size="lg" title="FK-506 5μM R07 exp358 vs Wiskostatin 3μM R07 exp422"> {{:chemogenomics:comparison_plots:exp358_vs_exp422.png?nolink |}} </modal> <modal id="3" size="lg" title="FK-506 5μM R07 exp358 vs IU1-C 25μM R04 exp183"> {{:chemogenomics:comparison_plots:exp183_vs_exp358.png?nolink |}} </modal> <modal id="4" size="lg" title="FK-506 5μM R07 exp358 vs Thioridazine 5μM R08 exp530"> {{:chemogenomics:comparison_plots:exp358_vs_exp530.png?nolink |}} </modal> <modal id="5" size="lg" title="CCT251545 20μM R07 exp326 vs FK-506 5μM R07 exp358"> {{:chemogenomics:comparison_plots:exp326_vs_exp358.png?nolink |}} </modal> <modal id="6" size="lg" title="Chlorpromazine 10μM R07 exp344 vs FK-506 5μM R07 exp358"> {{:chemogenomics:comparison_plots:exp344_vs_exp358.png?nolink |}} </modal> <modal id="7" size="lg" title="CAY10603 0.55μM R08 exp467 vs FK-506 5μM R07 exp358"> {{:chemogenomics:comparison_plots:exp358_vs_exp467.png?nolink |}} </modal> <modal id="8" size="lg" title="Asunaprenir 3μM R07 exp336 vs FK-506 5μM R07 exp358"> {{:chemogenomics:comparison_plots:exp336_vs_exp358.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms"> ^GO Term^Fold Change^Genes^ |CDP-choline pathway|318.83|CHKA,PCYT1A,CEPT1| </modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal> Last modified: 2026/01/15 21:36by 127.0.0.1