====== SB743921 0.001μM R05 exp244 ======
==== Mechanism of Action ====
Inhibits Eg5 kinesin, derivative of S-trityl-L-cysteine
* **Class / Subclass 1:** Cell Cycle / Mitotic Inhibitor
==== Technical Notes ====
* **PubChem Name:** %%N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;hydrochloride%%
* **Synonyms:** N/A
* **CAS #:** 940929-33-9
* **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/49867937|49867937]]
* **IUPAC:** %%N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;hydrochloride%%
* **INCHI Name:** InChI=1S/C31H33ClN2O3.ClH/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30;/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3;1H/t28-;/m1./s1
* **INCHI Key:** MLMZVWABFOLFGV-LNLSOMNWSA-N
* **Molecular Weight:** 553.5
* **Canonical SMILES:** CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl
* **Isomeric SMILES:** CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl
* **Molecular Formula:** C31H34Cl2N2O3
{{:chemogenomics:structures:chem-0149.svg?nolink}}
* **Supplier Name:** N/A
* **Catalog #:** N/A
* **Lot #:** N/A
Characterization data not available.
* **Platform ID:** SB743921
* **Min:** -3.7906; **Max:** 93.6518
{{:chemogenomics:dose_response:dr_276.png?nolink&500 |}}
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^ IC ^ Concentration (µM) ^
| IC10 |N/A |
| IC20 |0.0006 |
| IC30 |0.0007 |
| IC40 |0.0007 |
| IC50 |0.0008 |
| IC60 |N/A |
| IC70 |N/A |
| IC80 |N/A |
| IC90 |N/A |
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==== Screen Summary ====
* **Round**: 05
* **Dose**: 1nM
* **Days of incubation**: 8
* **Doublings**: -0.0
* **Numbers of reads**: 22832707
==== 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^
|0/155|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/SB743921_0.001uM_Round-5_exp244.txt|Scores]]||||||
{{:chemogenomics:cranks_plots:exp244.png?nolink}}
^Gene^CRANKS Score^FDR^
|[[:human_genes:C:COPA|COPA]]|-2.95|0.31|
|[[:human_genes:A:AURKB|AURKB]]|-2.87|0.31|
|[[:human_genes:T:TPX2|TPX2]]|-2.82|0.24|
|[[:human_genes:P:PSMC5|PSMC5]]|-2.81|0.31|
|[[:human_genes:S:SMC2|SMC2]]|-2.69|0.31|
|[[:human_genes:U:UBE2Z|UBE2Z]]|-2.61|0.21|
|[[:human_genes:T:TCERG1L|TCERG1L]]|-2.50|0.24|
|[[:human_genes:T:TSC2|TSC2]]|-2.47|0.22|
|[[:human_genes:S:SKIV2L2|SKIV2L2]]|-2.40|0.57|
|[[:human_genes:O:OR2A14|OR2A14]]|-2.36|0.24|
|[[:human_genes:T:TBCC|TBCC]]|-2.34|0.38|
|[[:human_genes:C:CDC73|CDC73]]|-2.32|0.33|
|[[:human_genes:P:PPP1R13L|PPP1R13L]]|-2.31|0.31|
|[[:human_genes:P:PSMC6|PSMC6]]|-2.28|0.54|
|[[:human_genes:Z:ZNF202|ZNF202]]|-2.26|0.31|
|[[:human_genes:K:KRTAP4-8|KRTAP4-8]]|-2.19|0.38|
|[[:human_genes:C:CTR9|CTR9]]|-2.18|0.38|
|[[:human_genes:G:GSN|GSN]]|-2.17|0.31|
|[[:human_genes:P:PTPRJ|PTPRJ]]|-2.17|0.31|
|[[:human_genes:C:C1orf173|C1orf173]]|-2.11|0.31|
|[[:human_genes:R:RBKS|RBKS]]|-2.09|0.31|
|[[:human_genes:D:DNAJC21|DNAJC21]]|-2.09|0.31|
|[[:human_genes:C:C1orf131|C1orf131]]|-2.07|0.38|
|[[:human_genes:C:CEP250|CEP250]]|-2.07|0.31|
|[[:human_genes:A:ASH2L|ASH2L]]|-2.07|0.31|
|[[:human_genes:D:DONSON|DONSON]]|-2.07|0.69|
|[[:human_genes:C:COG3|COG3]]|-2.07|0.38|
|[[:human_genes:A:ANKRD12|ANKRD12]]|-2.07|0.31|
|[[:human_genes:C:CHMP6|CHMP6]]|-2.06|0.31|
|[[:human_genes:A:ANKRD34A|ANKRD34A]]|-2.05|0.31|
|[[:human_genes:P:PDE1C|PDE1C]]|3.47|<0.01|
|[[:human_genes:I:IGF2BP3|IGF2BP3]]|3.47|<0.01|
|[[:human_genes:R:RADIL|RADIL]]|3.47|<0.01|
|[[:human_genes:H:HOXA1|HOXA1]]|3.49|<0.01|
|[[:human_genes:H:HDAC9|HDAC9]]|3.51|<0.01|
|[[:human_genes:N:NT5C3A|NT5C3A]]|3.53|<0.01|
|[[:human_genes:D:DCTN5|DCTN5]]|3.69|<0.01|
|[[:human_genes:I:INMT|INMT]]|3.76|<0.01|
|[[:human_genes:B:BZW2|BZW2]]|4.09|<0.01|
|[[:human_genes:R:RAC1|RAC1]]|4.13|<0.01|
|[[:human_genes:T:TNRC18|TNRC18]]|4.15|<0.01|
|[[:human_genes:M:MAD2L1BP|MAD2L1BP]]|4.16|<0.01|
|[[:human_genes:U:USP42|USP42]]|4.31|<0.01|
|[[:human_genes:R:RBM14-RBM4|RBM14-RBM4]]|4.41|<0.01|
|[[:human_genes:C:CYTH3|CYTH3]]|4.43|<0.01|
|[[:human_genes:R:RBM14|RBM14]]|4.56|<0.01|
|[[:human_genes:I:ITGB8|ITGB8]]|4.67|<0.01|
|[[:human_genes:A:AMZ1|AMZ1]]|4.69|<0.01|
|[[:human_genes:B:BMPER|BMPER]]|4.74|<0.01|
|[[:human_genes:Z:ZWILCH|ZWILCH]]|4.93|<0.01|
|[[:human_genes:P:PAFAH1B1|PAFAH1B1]]|5.04|<0.01|
|[[:human_genes:M:MAD1L1|MAD1L1]]|5.20|<0.01|
|[[:human_genes:D:DYNLRB1|DYNLRB1]]|5.54|<0.01|
|[[:human_genes:D:DYNC1H1|DYNC1H1]]|5.70|<0.01|
|[[:human_genes:B:BUB3|BUB3]]|5.75|<0.01|
|[[:human_genes:B:BUB1B|BUB1B]]|5.87|<0.01|
|[[:human_genes:M:MAD2L1|MAD2L1]]|6.04|<0.01|
|[[:human_genes:Z:ZW10|ZW10]]|6.17|<0.01|
|[[:human_genes:K:KNTC1|KNTC1]]|6.56|<0.01|
|[[:human_genes:T:TRIP13|TRIP13]]|7.14|<0.01|
^Screen^Correlation^Plot^
|[[:results:exp208|Vinblastine 0.015μM R05 exp208]]|0.291||
|[[:results:exp94|Nocodazole 0.1μM R03 exp94]]|0.341||
|[[:results:exp33|Rotenone 2μM R00 exp33]]|0.338||
|[[:results:exp24|Nocodazole 0.2μM R00 exp24]]|0.311||
|[[:results:exp93|DABN racemic mixture R03 exp93]]|0.273||
|[[:results:exp111|R-DABN 8μM R03 exp111]]|0.227||
|[[:results:exp64|Nocodazole 0.2μM R02 exp64]]|0.221||
|[[:results:exp256|HMS-I1 10μM R06 exp256]]|0.216||
|[[:results:exp98|BI-6727 0.04μM R03 exp98]]|0.091||
{{:chemogenomics:comparison_plots:exp208_vs_exp244.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp94.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp33.png?nolink |}}
{{:chemogenomics:comparison_plots:exp24_vs_exp244.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp93.png?nolink |}}
{{:chemogenomics:comparison_plots:exp111_vs_exp244.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp64.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp256.png?nolink |}}
{{:chemogenomics:comparison_plots:exp244_vs_exp98.png?nolink |}}
No GO term hits below threshold. (FDR <0.05)
^GO Term^Fold Change^Genes^
|mitotic spindle checkpoint signaling|157.81|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|spindle assembly checkpoint signaling|157.81|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|mitotic spindle assembly checkpoint signaling|157.81|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of mitotic sister chromatid segregation|142.54|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of mitotic sister chromatid separation|142.54|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of metaphase/anaphase transition of cell cycle|133.90|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of chromosome separation|133.90|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of chromosome segregation|133.90|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|spindle checkpoint signaling|133.32|TRIP13,KNTC1,ZW10,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of mitotic metaphase/anaphase transition|124.72|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,MAD1L1,ZWILCH|
|negative regulation of sister chromatid segregation|124.72|TRIP13,KNTC1,ZW10,BUB1B,BUB3,MAD1L1,ZWILCH|
|negative regulation of nuclear division|96.06|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH|
|regulation of mitotic sister chromatid segregation|93.79|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of mitotic sister chromatid separation|77.52|TRIP13,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of chromosome separation|69.04|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of mitotic metaphase/anaphase transition|56.49|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of metaphase/anaphase transition of cell cycle|54.63|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of sister chromatid segregation|48.74|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|
|regulation of mitotic nuclear division|42.85|TRIP13,KNTC1,ZW10,MAD2L1,BUB1B,BUB3,MAD1L1,ZWILCH,MAD2L1BP|