====== BH1 1μM R04 exp169 ====== ==== Mechanism of Action ==== Unknown * **Class / Subclass 1:** Uncharacterized Mechanism / Chemical Screen Hit ==== Technical Notes ==== * **PubChem Name:** %%4-Amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide%% * **Synonyms:** N/A * **CAS #:** 331424-77-2 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/4225810|4225810]] * **IUPAC:** %%4-amino-N-[4-[5-[(4-aminobenzoyl)amino]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide%% * **INCHI Name:** InChI=1S/C27H20Cl2N6O2/c28-19-13-16(5-10-20(19)33-26(36)14-1-6-17(30)7-2-14)25-32-22-12-11-21(23(29)24(22)35-25)34-27(37)15-3-8-18(31)9-4-15/h1-13H,30-31H2,(H,32,35)(H,33,36)(H,34,37) * **INCHI Key:** TYLWSXFXCJNMCK-UHFFFAOYSA-N * **Molecular Weight:** 531.4 * **Canonical SMILES:** C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C3=NC4=C(N3)C=CC(=C4Cl)NC(=O)C5=CC=C(C=C5)N)Cl)N * **Isomeric SMILES:** N/A * **Molecular Formula:** C27H20Cl2N6O2 {{:chemogenomics:structures:chem-0073.svg?nolink}} * **Supplier Name:** AMB Inter * **Catalog #:** Amb6869981 * **Lot #:** N/A * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C27H20Cl2N6O2 531.10976; found 531.11054 * **Platform ID:** BH1 * **Min:** -2.2884; **Max:** 92.0020 {{:chemogenomics:dose_response:dr_73.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |3.2607 | | IC30 |3.9287 | | IC40 |4.5772 | | IC50 |5.2661 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 04 * **Dose**: 1µM * **Days of incubation**: 8 * **Doublings**: 6.7 * **Numbers of reads**: 18813435 ==== 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^ |54/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BH1_1uM_Round-4_exp169.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp169.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:V:VKORC1L1|VKORC1L1]]|-4.88|<0.01| |[[:human_genes:K:KDSR|KDSR]]|-4.68|<0.01| |[[:human_genes:S:SCAP|SCAP]]|-4.29|<0.01| |[[:human_genes:S:SPTLC1|SPTLC1]]|-4.18|<0.01| |[[:human_genes:G:GPR107|GPR107]]|-4.04|<0.01| |[[:human_genes:S:SGMS1|SGMS1]]|-4.01|<0.01| |[[:human_genes:A:ARL1|ARL1]]|-3.97|<0.01| |[[:human_genes:C:COL4A3BP|COL4A3BP]]|-3.91|<0.01| |[[:human_genes:C:CHKA|CHKA]]|-3.74|<0.01| |[[:human_genes:C:CTDNEP1|CTDNEP1]]|-3.58|<0.01| |[[:human_genes:C:COG5|COG5]]|-3.45|<0.01| |[[:human_genes:L:LDLR|LDLR]]|-3.44|<0.01| |[[:human_genes:D:DYM|DYM]]|-3.42|<0.01| |[[:human_genes:L:LDLRAP1|LDLRAP1]]|-3.29|<0.01| |[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-3.25|<0.01| |[[:human_genes:U:UNC50|UNC50]]|-3.23|<0.01| |[[:human_genes:A:ATP6V1G1|ATP6V1G1]]|-3.11|<0.01| |[[:human_genes:C:COG7|COG7]]|-3.08|<0.01| |[[:human_genes:T:TBC1D23|TBC1D23]]|-3.05|<0.01| |[[:human_genes:A:APBA3|APBA3]]|-3.02|<0.01| |[[:human_genes:R:RAB7A|RAB7A]]|-3.01|<0.01| |[[:human_genes:C:CDK2|CDK2]]|-2.99|<0.01| |[[:human_genes:M:MBTPS1|MBTPS1]]|-2.98|<0.01| |[[:human_genes:G:GCLM|GCLM]]|-2.98|<0.01| |[[:human_genes:R:RALGAPB|RALGAPB]]|-2.90|<0.01| |[[:human_genes:S:SPTLC2|SPTLC2]]|-2.85|<0.01| |[[:human_genes:O:OSBP|OSBP]]|-2.84|<0.01| |[[:human_genes:C:COG6|COG6]]|-2.82|<0.01| |[[:human_genes:N:NCOR1|NCOR1]]|-2.77|<0.01| |[[:human_genes:K:KIAA1432|KIAA1432]]|-2.76|<0.01| |[[:human_genes:S:SEC31A|SEC31A]]|1.97|0.54| |[[:human_genes:A:ATP6AP1|ATP6AP1]]|1.99|0.61| |[[:human_genes:N:NOP14|NOP14]]|1.99|0.54| |[[:human_genes:Z:ZBED2|ZBED2]]|1.99|0.63| |[[:human_genes:N:NUP188|NUP188]]|2.01|0.59| |[[:human_genes:B:BCL11A|BCL11A]]|2.02|0.54| |[[:human_genes:S:SEC13|SEC13]]|2.04|0.59| |[[:human_genes:T:TBC1D3C|TBC1D3C]]|2.07|0.54| |[[:human_genes:K:KRTAP9-7|KRTAP9-7]]|2.08|0.54| |[[:human_genes:L:LMOD3|LMOD3]]|2.09|0.59| |[[:human_genes:U:USP9X|USP9X]]|2.10|0.54| |[[:human_genes:S:SEC23B|SEC23B]]|2.11|0.54| |[[:human_genes:N:NUP43|NUP43]]|2.11|0.59| |[[:human_genes:T:TARS|TARS]]|2.11|0.61| |[[:human_genes:D:DUSP16|DUSP16]]|2.11|0.54| |[[:human_genes:M:MMS22L|MMS22L]]|2.12|0.59| |[[:human_genes:N:NUP98|NUP98]]|2.13|0.54| |[[:human_genes:T:TUBA1C|TUBA1C]]|2.14|0.59| |[[:human_genes:R:RRP7A|RRP7A]]|2.17|0.54| |[[:human_genes:N:NOTCH2NL|NOTCH2NL]]|2.19|0.63| |[[:human_genes:M:MDM2|MDM2]]|2.22|0.59| |[[:human_genes:P:PSMD6|PSMD6]]|2.24|0.63| |[[:human_genes:Y:YJEFN3|YJEFN3]]|2.28|0.29| |[[:human_genes:N:NUP93|NUP93]]|2.32|0.59| |[[:human_genes:S:SLC28A3|SLC28A3]]|2.32|0.29| |[[:human_genes:S:SEC24C|SEC24C]]|2.35|0.29| |[[:human_genes:N:NDC80|NDC80]]|2.38|0.61| |[[:human_genes:B:BCL2L1|BCL2L1]]|2.48|0.21| |[[:human_genes:G:GYPE|GYPE]]|2.49|0.54| |[[:human_genes:S:SYVN1|SYVN1]]|3.07|0.21| ^Screen^Correlation^Plot^ |[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.15|| |[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.139|| |[[:results:exp454|Bafilomycin-A1 0.009μM R08 exp454]]|0.121|| |[[:results:exp89|Vemurafenib 6.6μM R02 exp89]]|0.102|| |[[:results:exp434|Vemurafenib 6.6μM R08 exp434]]|0.098|| |[[:results:exp90|WYE-354 6μM R02 exp90]]|0.098|| |[[:results:exp469|CFI-400945 25μM R08 exp469]]|0.08|| |[[:results:exp461|BS-181 20μM R08 exp461]]|0.078|| |[[:results:exp131|L-74142 5μM R03 exp131]]|0.075|| |[[:results:exp79|Q15 2.7μM R02 exp79]]|0.073|| |[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.066|| |[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.065|| |[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.064|| |[[:results:exp182|IU1-47 25μM R04 exp182]]|0.061|| |[[:results:exp442|Ibrutinib 10μM R08 exp442]]|0.059|| |[[:results:exp538|ZLN024 50μM R08 exp538]]|0.059|| |[[:results:exp326|CCT251545 20μM R07 exp326]]|0.058|| |[[:results:exp77|Prochlorperazine 5.2μM R02 exp77]]|0.058|| |[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.057|| |[[:results:exp226|Cerivastatin 0.15μM R05 exp226]]|0.057|| |[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.056|| |[[:results:exp187|proTAME 5μM R04 exp187]]|0.056|| |[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.055|| |[[:results:exp149|SB203580 25μM R03 exp149]]|0.055|| |[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.053|| |[[:results:exp463|Caffeine 2600μM R08 exp463]]|0.051|| |[[:results:exp160|Ribavirin 10 to 15μM on day4 R04 exp160]]|0.051|| {{:chemogenomics:comparison_plots:exp169_vs_exp68.png?nolink |}} {{:chemogenomics:comparison_plots:exp164_vs_exp169.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp89.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp434.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp90.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp469.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp461.png?nolink |}} {{:chemogenomics:comparison_plots:exp131_vs_exp169.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp79.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp416.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp530.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp227.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp182.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp442.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp538.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp326.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp77.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp47.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp226.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp507.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp187.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp233.png?nolink |}} {{:chemogenomics:comparison_plots:exp149_vs_exp169.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp344.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp463.png?nolink |}} {{:chemogenomics:comparison_plots:exp160_vs_exp169.png?nolink |}} ^GO Term^Fold Change^Genes^ |sphinganine metabolic process|571.52|SPTLC1,SPTLC2| |sphingomyelin biosynthetic process|228.61|SPTLC1,SGMS1,SPTLC2,OSBP| |Golgi transport complex|214.32|COG5,COG7,COG6| |retrograde transport, vesicle recycling within Golgi|214.32|COG5,COG7,COG6| |sphingomyelin metabolic process|127.00|SPTLC1,SGMS1,SPTLC2,OSBP| |sphingoid metabolic process|85.73|KDSR,SPTLC1,SPTLC2| |intracellular cholesterol transport|71.44|LDLR,LDLRAP1,OSBP| |regulation of cholesterol metabolic process|67.24|SCAP,LDLR,LDLRAP1,MBTPS1| |intracellular sterol transport|61.23|LDLR,LDLRAP1,OSBP| |intracellular lipid transport|54.43|CERT1,LDLR,LDLRAP1,OSBP| |sphingolipid biosynthetic process|28.29|KDSR,SPTLC1,SGMS1,SPTLC2,OSBP| |sphingolipid metabolic process|22.12|KDSR,SPTLC1,SGMS1,CERT1,SPTLC2,OSBP| |Golgi organization|21.49|ARL1,COG5,DYM,COG7,COG6| |membrane lipid biosynthetic process|20.41|KDSR,SPTLC1,SGMS1,SPTLC2,OSBP| |membrane lipid metabolic process|16.98|KDSR,SPTLC1,SGMS1,CERT1,SPTLC2,OSBP| |Golgi apparatus subcompartment|12.56|SGMS1,ARL1,COG5,COG7,TBC1D23,MBTPS1,OSBP,COG6| |alcohol metabolic process|10.82|SCAP,SPTLC1,LDLR,LDLRAP1,MBTPS1,SPTLC2| |Golgi membrane|8.71|SCAP,SGMS1,ARL1,COG5,ATP6V0A2,UNC50,COG7,MBTPS1,OSBP,COG6| |organic hydroxy compound metabolic process|8.46|SCAP,SPTLC1,LDLR,LDLRAP1,MBTPS1,SPTLC2,OSBP| ^GO Term^Fold Change^Genes^ |nuclear pore outer ring|207.18|NUP98,NUP43,SEC13| |COPII-coated vesicle cargo loading|118.39|SEC24C,SEC23B,SEC31A| |COPII vesicle coat|110.49|SEC24C,SEC23B,SEC13| |structural constituent of nuclear pore|72.06|NUP93,NUP98,NUP188| |vesicle cargo loading|71.29|SEC24C,SEC23B,SEC13,SEC31A| |COPII-coated vesicle budding|58.15|SEC24C,SEC23B,SEC13,SEC31A| |ER to Golgi transport vesicle membrane|37.46|SEC24C,SEC23B,SEC13,SEC31A| |nuclear pore|30.03|NUP93,NUP98,NUP43,SEC13,NUP188| |vesicle budding from membrane|29.86|SEC24C,SEC23B,SEC13,SEC31A| |mRNA transport|24.23|NUP93,NUP98,NUP43,SEC13,NUP188| |RNA transport|19.59|NUP93,NUP98,NUP43,SEC13,NUP188| |nucleic acid transport|19.59|NUP93,NUP98,NUP43,SEC13,NUP188| |establishment of RNA localization|19.32|NUP93,NUP98,NUP43,SEC13,NUP188| |protein localization to nucleus|18.11|NUP93,MDM2,RRP7A,NUP98,SEC13,NUP188| |nucleobase-containing compound transport|16.09|SLC28A3,NUP93,NUP98,NUP43,SEC13,NUP188| |transport vesicle membrane|14.67|BCL2L1,SEC24C,SEC23B,SEC13,ATP6AP1,SEC31A| |nucleocytoplasmic transport|14.17|NUP93,NUP98,DUSP16,NUP43,SEC13,NUP188| |nuclear transport|14.17|NUP93,NUP98,DUSP16,NUP43,SEC13,NUP188| |intracellular protein transport|8.16|SYVN1,SEC24C,NUP93,DUSP16,SEC23B,USP9X,SEC13,NUP188,ATP6AP1,SEC31A|