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Ask your administrator if you think this is wrong. ====== Cyclosporin-A 0.8μM R07 exp347 ====== ==== Mechanism of Action ==== Inhibits calcineurin, forms ternary complex with immunophilin (FBKP) and 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>** %%Cyclosporin A%% * **<color #00a2e8>Synonyms:</color>** Cyclosporine; Ciclosporin * **<color #00a2e8>CAS #:</color>** 59865-13-3 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/5284373|5284373]] * **<color #00a2e8>IUPAC:</color>** %%(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 * **<color #00a2e8>INCHI Key:</color>** PMATZTZNYRCHOR-CGLBZJNRSA-N * **<color #00a2e8>Molecular Weight:</color>** 1202.6 * **<color #00a2e8>Canonical SMILES:</color>** CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C * **<color #00a2e8>Isomeric SMILES:</color>** CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C * **<color #00a2e8>Molecular Formula:</color>** C62H111N11O12 {{:chemogenomics:structures:chem-0205.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Sigma-Aldrich * **<color #00a2e8>Catalog #:</color>** 30024 * **<color #00a2e8>Lot #:</color>** 142714V </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C62H111N11O12 1202.84864; found 1202.84948 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** Cyclosporin_A * **<color #00a2e8>Min:</color>** -12.3631; **<color #00a2e8>Max:</color>** 65.5231 {{:chemogenomics:dose_response:dr_378.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |1.3507 | | IC30 |2.2063 | | IC40 |3.6911 | | IC50 |6.9823 | | 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>**: 800nM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 6.6 * **<color #00a2e8>Numbers of reads</color>**: 17326732 ==== 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^ |4/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Cyclosporin_A_0.8uM_Round-7_exp347.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="default" 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='Cyclosporin-A 0.8μM R07 exp347'> {{:chemogenomics:cranks_plots:exp347.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:G:GTF3C6|GTF3C6]]|-3.43|<0.01| |[[:human_genes:T:TCF4|TCF4]]|-2.92|0.01| |[[:human_genes:D:DERL2|DERL2]]|-2.82|0.02| |[[:human_genes:F:FDPS|FDPS]]|-2.64|0.04| |[[:human_genes:L:LLGL1|LLGL1]]|-2.42|0.20| |[[:human_genes:D:DNAJC3|DNAJC3]]|-2.40|0.13| |[[:human_genes:G:GMPPA|GMPPA]]|-2.34|0.23| |[[:human_genes:F:FAR1|FAR1]]|-2.27|0.20| |[[:human_genes:G:GAGE2A|GAGE2A]]|-2.25|0.57| |[[:human_genes:C:CTDNEP1|CTDNEP1]]|-2.20|0.23| |[[:human_genes:P:PRAMEF10|PRAMEF10]]|-2.19|0.23| |[[:human_genes:Z:ZCCHC7|ZCCHC7]]|-2.14|0.25| |[[:human_genes:F:FBXW7|FBXW7]]|-2.14|0.25| |[[:human_genes:H:H2AFV|H2AFV]]|-2.09|0.31| |[[:human_genes:R:RTCB|RTCB]]|-2.07|0.39| |[[:human_genes:O:OSGEP|OSGEP]]|-2.07|0.48| |[[:human_genes:R:RPS17L|RPS17L]]|-2.07|0.48| |[[:human_genes:T:TCERG1L|TCERG1L]]|-2.05|0.35| |[[:human_genes:S:SERPINA12|SERPINA12]]|-2.04|0.35| |[[:human_genes:S:SEC16A|SEC16A]]|-2.03|0.54| |[[:human_genes:C:CERK|CERK]]|-2.03|0.35| |[[:human_genes:C:CBFB|CBFB]]|-2.02|0.35| |[[:human_genes:S:SOX7|SOX7]]|-2.00|0.38| |[[:human_genes:C:C18orf32|C18orf32]]|-1.97|0.72| |[[:human_genes:A:ADSL|ADSL]]|-1.97|0.52| |[[:human_genes:T:TRIM44|TRIM44]]|-1.97|0.52| |[[:human_genes:L:LEO1|LEO1]]|-1.97|0.39| |[[:human_genes:Z:ZNF80|ZNF80]]|-1.96|0.39| |[[:human_genes:B:BAAT|BAAT]]|-1.96|0.48| |[[:human_genes:R:RPE|RPE]]|-1.96|0.48| |[[:human_genes:L:LY6G5C|LY6G5C]]|1.87|0.84| |[[:human_genes:C:C12orf60|C12orf60]]|1.87|0.74| |[[:human_genes:B:BRMS1|BRMS1]]|1.88|0.84| |[[:human_genes:K:KRTAP2-2|KRTAP2-2]]|1.89|0.70| |[[:human_genes:G:GJB3|GJB3]]|1.89|0.84| |[[:human_genes:K:KRTAP2-1|KRTAP2-1]]|1.89|0.70| |[[:human_genes:A:ATOH1|ATOH1]]|1.91|0.70| |[[:human_genes:R:RPL34|RPL34]]|1.92|0.84| |[[:human_genes:S:STIL|STIL]]|1.93|0.79| |[[:human_genes:P:POMC|POMC]]|1.93|0.84| |[[:human_genes:A:APOBEC3G|APOBEC3G]]|1.94|0.69| |[[:human_genes:M:MMS22L|MMS22L]]|1.94|0.69| |[[:human_genes:S:SPDL1|SPDL1]]|1.95|0.69| |[[:human_genes:G:GCLM|GCLM]]|1.96|0.69| |[[:human_genes:L:LOC100505679|LOC100505679]]|1.99|0.84| |[[:human_genes:S:SLC28A2|SLC28A2]]|2.06|0.84| |[[:human_genes:R:RPL11|RPL11]]|2.08|0.84| |[[:human_genes:P:PPP1R1B|PPP1R1B]]|2.09|0.69| |[[:human_genes:T:TMEM79|TMEM79]]|2.11|0.69| |[[:human_genes:N:NAA15|NAA15]]|2.12|0.69| |[[:human_genes:A:ACBD5|ACBD5]]|2.16|0.69| |[[:human_genes:P:PIK3R5|PIK3R5]]|2.19|0.69| |[[:human_genes:K:KCNH8|KCNH8]]|2.23|0.69| |[[:human_genes:T:TTK|TTK]]|2.23|0.69| |[[:human_genes:M:MPHOSPH10|MPHOSPH10]]|2.26|0.69| |[[:human_genes:V:VPREB1|VPREB1]]|2.29|0.69| |[[:human_genes:R:RASIP1|RASIP1]]|2.30|0.70| |[[:human_genes:P:POLE|POLE]]|2.56|0.69| |[[:human_genes:C:CKAP5|CKAP5]]|2.69|0.69| |[[:human_genes:P:POLA1|POLA1]]|2.71|0.84| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp307|Rapamycin 2μM plus Cyclosporin-A 3μM R07 exp307]]|0.064|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp333|All-trans-Retinoic-Acid 8μM R07 exp333]]|0.063|<button type="primary" size="small" modal="2">View</button>| </modal> <modal id="1" size="lg" title="Cyclosporin-A 0.8μM R07 exp347 vs Rapamycin 2μM plus Cyclosporin-A 3μM R07 exp307"> {{:chemogenomics:comparison_plots:exp307_vs_exp347.png?nolink |}} </modal> <modal id="2" size="lg" title="All-trans-Retinoic-Acid 8μM R07 exp333 vs Cyclosporin-A 0.8μM R07 exp347"> {{:chemogenomics:comparison_plots:exp333_vs_exp347.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</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