====== VER-155008 3.9μM R06 exp301 ====== ==== Mechanism of Action ==== Inhibits HSP70 * **Class / Subclass 1:** Proteostasis / Chaperone Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine%% * **Synonyms:** N/A * **CAS #:** 1134156-31-2 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/25195348|25195348]] * **IUPAC:** %%4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile%% * **INCHI Name:** InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1 * **INCHI Key:** ZXGGCBQORXDVTE-UMCMBGNQSA-N * **Molecular Weight:** 556.4 * **Canonical SMILES:** C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N * **Isomeric SMILES:** C1=CC(=CC=C1COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N * **Molecular Formula:** C25H23Cl2N7O4 {{:chemogenomics:structures:chem-0188.svg?nolink}} * **Supplier Name:** Cayman Chemical * **Catalog #:** 17257 * **Lot #:** N/A * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C25H23Cl2N7O4 556.12613; found 556.12669 * **Platform ID:** VER-155008 * **Min:** -10.6600; **Max:** 98.1898 {{:chemogenomics:dose_response:dr_279.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |2.2255 | | IC30 |3.8995 | | IC40 |6.1756 | | IC50 |9.4171 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 06 * **Dose**: 3.9µM * **Days of incubation**: 8 * **Doublings**: 5.3 * **Numbers of reads**: 23838336 ==== 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^ |0/23|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/VER-155008_3.9uM_Round-6_exp301.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp301.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:P:PCYT1A|PCYT1A]]|-2.78|0.07| |[[:human_genes:P:PPIL1|PPIL1]]|-2.73|0.09| |[[:human_genes:E:ELF2|ELF2]]|-2.66|0.07| |[[:human_genes:G:GMPPB|GMPPB]]|-2.61|0.46| |[[:human_genes:Q:QRICH1|QRICH1]]|-2.53|0.21| |[[:human_genes:W:WDR20|WDR20]]|-2.41|0.17| |[[:human_genes:M:MYBPC3|MYBPC3]]|-2.40|0.21| |[[:human_genes:A:AIFM3|AIFM3]]|-2.35|0.19| |[[:human_genes:K:KRTAP19-1|KRTAP19-1]]|-2.30|0.21| |[[:human_genes:G:GPNMB|GPNMB]]|-2.26|0.31| |[[:human_genes:S:SHOC2|SHOC2]]|-2.24|0.32| |[[:human_genes:B:BRD3|BRD3]]|-2.23|0.21| |[[:human_genes:Z:ZW10|ZW10]]|-2.21|0.21| |[[:human_genes:D:DYNC1H1|DYNC1H1]]|-2.19|0.67| |[[:human_genes:C:CENPN|CENPN]]|-2.08|0.46| |[[:human_genes:M:MOCS3|MOCS3]]|-2.08|0.46| |[[:human_genes:W:WDR48|WDR48]]|-2.07|0.37| |[[:human_genes:E:EMC10|EMC10]]|-2.07|0.46| |[[:human_genes:Z:ZEB2|ZEB2]]|-2.06|0.48| |[[:human_genes:H:HSPA4|HSPA4]]|-2.05|0.48| |[[:human_genes:U:UBA5|UBA5]]|-2.04|0.41| |[[:human_genes:W:WDR55|WDR55]]|-2.03|0.65| |[[:human_genes:X:XRCC5|XRCC5]]|-2.01|0.53| |[[:human_genes:Z:ZC3H14|ZC3H14]]|-2.01|0.48| |[[:human_genes:C:CMTM7|CMTM7]]|-1.99|0.46| |[[:human_genes:C:CFAP45|CFAP45]]|-1.98|0.71| |[[:human_genes:P:PHC1|PHC1]]|-1.97|0.46| |[[:human_genes:C:CANX|CANX]]|-1.96|0.48| |[[:human_genes:V:VPS25|VPS25]]|-1.95|0.72| |[[:human_genes:N:NCF4|NCF4]]|-1.94|0.48| |[[:human_genes:P:PAPSS1|PAPSS1]]|2.38|0.06| |[[:human_genes:S:STK11|STK11]]|2.40|0.05| |[[:human_genes:M:MBTPS2|MBTPS2]]|2.40|0.03| |[[:human_genes:D:DSCC1|DSCC1]]|2.40|0.03| |[[:human_genes:D:DHX35|DHX35]]|2.42|0.03| |[[:human_genes:K:KDM1A|KDM1A]]|2.43|0.08| |[[:human_genes:C:CPNE2|CPNE2]]|2.43|0.03| |[[:human_genes:P:PAFAH1B1|PAFAH1B1]]|2.49|0.32| |[[:human_genes:S:SH3GL1|SH3GL1]]|2.49|0.06| |[[:human_genes:R:RFC1|RFC1]]|2.49|0.23| |[[:human_genes:L:LRRC63|LRRC63]]|2.51|0.31| |[[:human_genes:G:GNA13|GNA13]]|2.52|0.02| |[[:human_genes:M:MCM9|MCM9]]|2.54|0.04| |[[:human_genes:R:RGP1|RGP1]]|2.58|0.05| |[[:human_genes:U:UBE2N|UBE2N]]|2.58|0.03| |[[:human_genes:C:COX19|COX19]]|2.58|0.02| |[[:human_genes:P:PRKAG1|PRKAG1]]|2.59|0.05| |[[:human_genes:S:SLC25A51|SLC25A51]]|2.59|0.02| |[[:human_genes:C:CLPP|CLPP]]|2.63|0.03| |[[:human_genes:A:ARL1|ARL1]]|2.64|0.01| |[[:human_genes:A:AP2S1|AP2S1]]|2.97|<0.01| |[[:human_genes:K:KIAA1432|KIAA1432]]|3.02|<0.01| |[[:human_genes:P:PRKAA1|PRKAA1]]|3.17|<0.01| |[[:human_genes:C:C19orf24|C19orf24]]|3.18|<0.01| |[[:human_genes:E:EIF4A1|EIF4A1]]|3.21|<0.01| |[[:human_genes:I:IKZF1|IKZF1]]|3.26|<0.01| |[[:human_genes:A:AP1M1|AP1M1]]|4.15|<0.01| |[[:human_genes:I:IKZF2|IKZF2]]|4.16|<0.01| |[[:human_genes:W:WDR11|WDR11]]|4.72|<0.01| |[[:human_genes:K:KCTD5|KCTD5]]|4.85|<0.01| ^Screen^Correlation^Plot^ |[[:results:exp264|Arsenate 40μM R06 exp264]]|0.057|| {{:chemogenomics:comparison_plots:exp264_vs_exp301.png?nolink |}} No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)