====== RO-3307 4.7μM R02 exp80 ======
==== Mechanism of Action ====
Inhibits CDK1, ATP-competitive, causes G2/M arrest
* **Class / Subclass 1:** Cell Cycle / Kinase Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%(5Z)-5-(Quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one%%
* **Synonyms:** N/A
* **CAS #:** 872573-93-8
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/135400873|135400873]]
* **IUPAC:** %%(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one%%
* **INCHI Name:** InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
* **INCHI Key:** XOLMRFUGOINFDQ-YBEGLDIGSA-N
* **Molecular Weight:** 351.4
* **Canonical SMILES:** C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)S3)N=C1
* **Isomeric SMILES:** C1=CC2=C(C=CC(=C2)/C=C\\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1
* **Molecular Formula:** C18H13N3OS2
{{:chemogenomics:structures:chem-0056.svg?nolink}}
* **Supplier Name:** Tocris Bioscience
* **Catalog #:** 4181
* **Lot #:** N/A
* **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C18H13N3OS2 352.05728; found 352.05802
* **Platform ID:** RO-3306
* **Min:** -12.5148; **Max:** 79.2860
{{:chemogenomics:dose_response:dr_23.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |4.5355 |
| IC30 |4.7770 |
| IC40 |4.9845 |
| IC50 |5.1828 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 02
* **Dose**: 4.7µM
* **Days of incubation**: 8
* **Doublings**: 0.7
* **Numbers of reads**: 11335426
==== 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^
|1/73|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/RO_3306_4.7uM_Round-2_exp80.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp80.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:F:FAM122A|FAM122A]]|-2.87|0.04|
|[[:human_genes:C:CDK1|CDK1]]|-2.86|0.42|
|[[:human_genes:I:IVL|IVL]]|-2.80|0.16|
|[[:human_genes:T:TSC1|TSC1]]|-2.57|0.14|
|[[:human_genes:C:COPZ1|COPZ1]]|-2.38|0.35|
|[[:human_genes:C:CDC73|CDC73]]|-2.33|0.42|
|[[:human_genes:T:TCF4|TCF4]]|-2.21|0.35|
|[[:human_genes:Z:ZFAND5|ZFAND5]]|-2.19|0.37|
|[[:human_genes:E:ERICH2|ERICH2]]|-2.19|0.35|
|[[:human_genes:D:DDX3X|DDX3X]]|-2.17|0.35|
|[[:human_genes:P:PRMT7|PRMT7]]|-2.14|0.35|
|[[:human_genes:S:SRRM3|SRRM3]]|-2.14|0.35|
|[[:human_genes:N:NCAPG2|NCAPG2]]|-2.12|0.42|
|[[:human_genes:T:TSC2|TSC2]]|-2.11|0.35|
|[[:human_genes:P:PLS3|PLS3]]|-2.11|0.35|
|[[:human_genes:V:VPS25|VPS25]]|-2.11|0.73|
|[[:human_genes:M:MME|MME]]|-2.08|0.42|
|[[:human_genes:L:LAS1L|LAS1L]]|-2.07|0.73|
|[[:human_genes:U:UBE4A|UBE4A]]|-2.07|0.37|
|[[:human_genes:N:NAA50|NAA50]]|-2.06|0.37|
|[[:human_genes:T:TAF1|TAF1]]|-2.05|0.42|
|[[:human_genes:C:CCDC172|CCDC172]]|-2.04|0.42|
|[[:human_genes:Z:ZNF486|ZNF486]]|-2.03|0.42|
|[[:human_genes:Z:ZC3H14|ZC3H14]]|-2.03|0.42|
|[[:human_genes:R:RIPPLY1|RIPPLY1]]|-2.02|0.42|
|[[:human_genes:I:INTS9|INTS9]]|-2.01|0.42|
|[[:human_genes:P:POLD1|POLD1]]|-2.00|0.42|
|[[:human_genes:A:AZI2|AZI2]]|-1.99|0.42|
|[[:human_genes:D:DUSP16|DUSP16]]|-1.97|0.42|
|[[:human_genes:R:RPS13|RPS13]]|-1.95|0.53|
|[[:human_genes:G:GMPPB|GMPPB]]|2.86|0.04|
|[[:human_genes:P:PPP1CA|PPP1CA]]|2.88|<0.01|
|[[:human_genes:P:PPP6C|PPP6C]]|2.92|<0.01|
|[[:human_genes:D:DDX42|DDX42]]|2.98|0.00|
|[[:human_genes:E:ENY2|ENY2]]|2.99|<0.01|
|[[:human_genes:L:LCMT1|LCMT1]]|3.00|0.00|
|[[:human_genes:K:KCTD5|KCTD5]]|3.03|<0.01|
|[[:human_genes:P:PLAA|PLAA]]|3.04|0.00|
|[[:human_genes:F:FOPNL|FOPNL]]|3.12|0.00|
|[[:human_genes:D:DIABLO|DIABLO]]|3.20|0.00|
|[[:human_genes:C:CEP128|CEP128]]|3.20|0.00|
|[[:human_genes:T:TFAP4|TFAP4]]|3.29|0.00|
|[[:human_genes:V:VDAC2|VDAC2]]|3.32|0.00|
|[[:human_genes:H:HCCS|HCCS]]|3.32|<0.01|
|[[:human_genes:C:CASP2|CASP2]]|3.33|0.00|
|[[:human_genes:C:CASP9|CASP9]]|3.43|0.00|
|[[:human_genes:M:MTOR|MTOR]]|3.46|0.00|
|[[:human_genes:U:UBP1|UBP1]]|3.58|0.00|
|[[:human_genes:P:PPP6R3|PPP6R3]]|3.65|0.00|
|[[:human_genes:A:APAF1|APAF1]]|3.70|0.00|
|[[:human_genes:C:CYB5R4|CYB5R4]]|3.82|0.00|
|[[:human_genes:M:MLST8|MLST8]]|3.86|0.00|
|[[:human_genes:K:KIAA0753|KIAA0753]]|3.92|0.00|
|[[:human_genes:C:C2CD3|C2CD3]]|4.06|0.00|
|[[:human_genes:P:PPP2R4|PPP2R4]]|4.07|0.00|
|[[:human_genes:M:MARCH5|MARCH5]]|4.34|0.00|
|[[:human_genes:P:PPME1|PPME1]]|4.99|0.00|
|[[:human_genes:T:TIPRL|TIPRL]]|5.04|0.00|
|[[:human_genes:B:BAK1|BAK1]]|5.94|0.00|
|[[:human_genes:C:CCNF|CCNF]]|6.32|0.00|
^Screen^Correlation^Plot^
|[[:results:exp414|Tozasertib 0.1μM R07 exp414]]|0.132||
|[[:results:exp34|Rotenone 20μM R00 exp34]]|0.099||
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.093||
|[[:results:exp524|Staurosporine 0.02μM R08 exp524]]|0.09||
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.076||
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.074||
|[[:results:exp527|Tanespimycin 14μM R08 exp527]]|0.073||
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.071||
|[[:results:exp59|UMK57 1μM R01 exp59]]|0.069||
|[[:results:exp456|Benzoate 20000μM R08 exp456]]|0.137||
|[[:results:exp374|Latrunculin-B 10μM R07 exp374]]|0.129||
|[[:results:exp349|Cytochalasin-B 5μM R07 exp349]]|0.118||
|[[:results:exp3|Actinomycin-D 0.001μM R00 exp3]]|0.111||
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.11||
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.107||
|[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.107||
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.105||
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.105||
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.099||
|[[:results:exp67|BVD-523 15μM R02 exp67]]|0.099||
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.099||
|[[:results:exp135|MS023 7μM R03 exp135]]|0.091||
|[[:results:exp211|AICAR 240μM R05 exp211]]|0.091||
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.09||
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.089||
|[[:results:exp355|Dinaciclib 0.007μM R07 exp355]]|0.085||
|[[:results:exp19|Etoposide 1μM R00 exp19]]|0.083||
|[[:results:exp512|Olaparib 4μM R08 exp512]]|0.077||
|[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.073||
|[[:results:exp116|AICAR 240μM R03 exp116]]|0.072||
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.072||
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.071||
|[[:results:exp489|Hippuristanol 0.12μM R08 exp489 no dilution day6]]|0.067||
|[[:results:exp488|Hippuristanol 0.12μM R08 exp488]]|0.066||
|[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.066||
|[[:results:exp343|Centrinone 0.5μM R07 exp343]]|0.062||
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.06||
|[[:results:exp134|MS023 2μM R03 exp134]]|0.059||
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.058||
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.058||
|[[:results:exp474|CR131-b 0.005μM R08 exp474]]|0.057||
|[[:results:exp234|Ethanol 0.01 R05 exp234]]|0.055||
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.055||
|[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.054||
|[[:results:exp450|Artemisinin 50μM R08 exp450]]|0.053||
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.052||
|[[:results:exp499|LY2090314 0.003μM R08 exp499]]|0.051||
|[[:results:exp66|BI-D1870 3.15μM R02 exp66]]|0.051||
|[[:results:exp22|MLN-4924 2μM R00 exp22]]|0.051||
{{:chemogenomics:comparison_plots:exp414_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp34_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp531_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp524_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp443_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp106_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp527_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp80_vs_exp85.png?nolink |}}
{{:chemogenomics:comparison_plots:exp59_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp456_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp374_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp349_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp3_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp2_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp478_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp28_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp459_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp503_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp199_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp67_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp259_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp135_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp211_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp357_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp485_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp355_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp19_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp512_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp472_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp116_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp440_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp502_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp489_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp488_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp217_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp343_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp517_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp134_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp451_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp515_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp474_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp234_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp468_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp500_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp450_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp435_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp499_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp66_vs_exp80.png?nolink |}}
{{:chemogenomics:comparison_plots:exp22_vs_exp80.png?nolink |}}
No GO term hits below threshold. (FDR <0.05)
^GO Term^Fold Change^Genes^
|apoptosome|552.80|APAF1,CASP9|
|activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c|331.68|APAF1,CASP9,DIABLO|
|TORC1 complex|221.12|MLST8,MTOR|
|porin activity|221.12|BAK1,VDAC2|
|regulation of phosphoprotein phosphatase activity|51.42|TIPRL,PTPA,PPP6R3,MTOR|
|regulation of phosphatase activity|38.79|TIPRL,PTPA,PPP6R3,MTOR|
|regulation of protein dephosphorylation|30.71|TIPRL,PTPA,PPP6R3,MTOR|
|positive regulation of cysteine-type endopeptidase activity|22.47|BAK1,APAF1,CASP9,CASP2,DIABLO|
|regulation of dephosphorylation|22.34|TIPRL,PTPA,PPP6R3,MTOR|
|positive regulation of endopeptidase activity|19.19|BAK1,APAF1,CASP9,CASP2,DIABLO|
|centriole|18.68|CCNF,C2CD3,KIAA0753,CEP128,CEP20|
|positive regulation of peptidase activity|17.49|BAK1,APAF1,CASP9,CASP2,DIABLO|
|intrinsic apoptotic signaling pathway|17.27|BAK1,APAF1,CASP9,CASP2,DIABLO|
|regulation of cysteine-type endopeptidase activity|14.78|BAK1,APAF1,CASP9,CASP2,DIABLO|
|apoptotic signaling pathway|10.77|BAK1,APAF1,CASP9,CASP2,VDAC2,DIABLO|
|positive regulation of hydrolase activity|9.23|BAK1,PTPA,APAF1,MTOR,CASP9,CASP2,DIABLO,PLAA|
|positive regulation of apoptotic process|9.10|BAK1,PTPA,APAF1,CASP9,CASP2,TFAP4,DIABLO,PPP1CA|
|positive regulation of programmed cell death|8.72|BAK1,PTPA,APAF1,CASP9,CASP2,TFAP4,DIABLO,PPP1CA|
|regulation of hydrolase activity|7.52|BAK1,TIPRL,PTPA,APAF1,PPP6R3,MTOR,CASP9,CASP2,DIABLO,PLAA|