Detailed information for compound 1359744

Basic information

Technical information
  • TDR Targets ID: 1359744
  • Name: 1-(4-chlorophenyl)-2-(4-nitroimidazol-1-yl)et hanone
  • MW: 265.653 | Formula: C11H8ClN3O3
  • H donors: 0 H acceptors: 4 LogP: 2.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)Cn1cnc(c1)[N+](=O)[O-]
  • InChi: 1S/C11H8ClN3O3/c12-9-3-1-8(2-4-9)10(16)5-14-6-11(13-7-14)15(17)18/h1-4,6-7H,5H2
  • InChiKey: VFQXAZWYYVJHRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorophenyl)-2-(4-nitro-1-imidazolyl)ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.005 0.0524 0.1431
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0638 0.1855
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0057 0.0409
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0229 0.0575
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0057 0.0098
Loa Loa (eye worm) hypothetical protein 0.0048 0.05 0.1431
Brugia malayi histone deacetylase 11 0.0018 0.0057 0.0065
Echinococcus multilocularis histone deacetylase 3 0.0062 0.0705 0.1161
Trichomonas vaginalis esterase, putative 0.011 0.1395 0.2834
Brugia malayi MH2 domain containing protein 0.0239 0.3283 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0347 0.0287
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0229 0.0575
Mycobacterium leprae Probable lipase LipE 0.011 0.1395 0.0013
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0638 0.1781
Trypanosoma brucei histone deacetylase 3 0.0018 0.0057 0.0249
Leishmania major histone deacetylase, putative 0.0062 0.0705 0.497
Loa Loa (eye worm) histone deacetylase 11 0.0018 0.0057 0.0065
Loa Loa (eye worm) hypothetical protein 0.0058 0.0638 0.1855
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0755 0.1247
Brugia malayi RNA binding protein 0.0076 0.0914 0.2703
Entamoeba histolytica histone deacetylase, putative 0.0062 0.0705 0.1156
Leishmania major hypothetical protein, conserved 0.011 0.1395 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0223 0.305 0.28
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0648 0.1973
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0375
Echinococcus multilocularis tumor protein p63 0.034 0.4756 0.8189
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0638 0.1101
Echinococcus granulosus histone deacetylase 8 0.0018 0.0057 0.0037
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0347 0.0287
Mycobacterium ulcerans hypothetical protein 0.011 0.1395 0.3877
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Echinococcus granulosus beta LACTamase domain containing family member 0.011 0.1395 0.2359
Plasmodium vivax aspartyl protease, putative 0.009 0.1115 0.3536
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1395 0.2834
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.05 0.0806
Echinococcus granulosus histone deacetylase 3 0.0062 0.0705 0.1161
Schistosoma mansoni cathepsin D (A01 family) 0.0104 0.1308 0.2255
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0262 0.3621 0.6244
Schistosoma mansoni ap endonuclease 0.0038 0.0347 0.0599
Onchocerca volvulus 0.011 0.1395 0.4102
Schistosoma mansoni hypothetical protein 0.0205 0.2782 0.4797
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0049 0.0022
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1393 0.2829
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1393 0.2829
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0153 0.0204
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0638 0.1045
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.1393 0.3869
Schistosoma mansoni cpg binding protein 0.0029 0.022 0.0379
Loa Loa (eye worm) histone deacetylase 7A 0.0018 0.0057 0.0065
Brugia malayi Peptidase family M1 containing protein 0.0038 0.0352 0.0975
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0705 0.1156
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0059 0.0653 0.4592
Schistosoma mansoni smad 0.0016 0.0036 0.0062
Trypanosoma brucei hypothetical protein, conserved 0.011 0.1395 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.025 0.0372
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0698 0.1149
Schistosoma mansoni zinc finger protein 0.0015 0.0023 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.1393 0.1083
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.0705 0.206
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0049 0.0084
Brugia malayi prolyl oligopeptidase family protein 0.0059 0.0653 0.1901
Schistosoma mansoni bromodomain containing protein 0.0065 0.0751 0.1295
Leishmania major histone deacetylase, putative 0.0018 0.0057 0.0249
Trypanosoma brucei Peptide deformylase 2 0.0085 0.1039 0.7406
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.1393 0.9985
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0352 0.0299
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1393 0.9985
Mycobacterium tuberculosis Conserved protein 0.011 0.1395 0.1086
Brugia malayi 6-phosphofructokinase 0.0109 0.1393 0.418
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1393 0.418
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.0705 0.206
Schistosoma mansoni hypothetical protein 0.0035 0.0311 0.0537
Echinococcus granulosus Dipeptidyl peptidase 9 0.0059 0.0653 0.1071
Treponema pallidum fructose-bisphosphate aldolase 0.0312 0.4344 1
Toxoplasma gondii hypothetical protein 0.0223 0.305 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0311 0.0478
Onchocerca volvulus 0.0029 0.022 0.0499
Loa Loa (eye worm) aminopeptidase N 0.0038 0.0352 0.0975
Trichomonas vaginalis set domain proteins, putative 0.0242 0.3319 0.7511
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.011 0.1395 0.4186
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1395 0.2834
Loa Loa (eye worm) hypothetical protein 0.0045 0.0452 0.128
Trypanosoma cruzi Peptide deformylase 2, putative 0.0085 0.1039 0.7448
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0059 0.0653 0.1991
Brugia malayi CXXC zinc finger family protein 0.0029 0.022 0.0566
Mycobacterium ulcerans aminopeptidase N PepN 0.0038 0.0352 0.0018
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0262 0.3621 0.6221
Plasmodium vivax SET domain protein, putative 0.0031 0.025 0.0645
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.116 0.3463
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0036 0.0062
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0153 0.0264
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0059 0.0653 0.4592
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0058 0.0067
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Mycobacterium tuberculosis Probable hydrolase 0.011 0.1395 0.1086
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.4344 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0705 0.206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.116 0.2001
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0229 0.0575
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.1393 0.2355
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0755 0.1247
Loa Loa (eye worm) phosphofructokinase 0.0109 0.1393 0.418
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0347 0.097
Onchocerca volvulus 0.0038 0.0352 0.0905
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Mycobacterium ulcerans beta-lactamase 0.011 0.1395 0.3877
Echinococcus granulosus histone deacetylase 6 0.0018 0.0057 0.0037
Onchocerca volvulus 0.0031 0.025 0.0592
Leishmania major polypeptide deformylase-like protein, putative 0.0085 0.1039 0.7406
Leishmania major histone deacetylase, putative 0.0018 0.0057 0.0249
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.5799 1
Echinococcus granulosus zinc finger protein 0.0021 0.011 0.0128
Mycobacterium tuberculosis Conserved protein 0.011 0.1395 0.1086
Schistosoma mansoni smad1 5 8 and 0.0016 0.0036 0.0062
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Onchocerca volvulus 0.011 0.1395 0.4102
Onchocerca volvulus 0.011 0.1395 0.4102
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0057 0.0037
Brugia malayi Pre-SET motif family protein 0.0031 0.025 0.066
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0038 0.0352 0.2401
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.1393 0.418
Brugia malayi TAR-binding protein 0.0076 0.0914 0.2703
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0755 0.2213
Echinococcus granulosus aminopeptidase N 0.0038 0.0352 0.0549
Toxoplasma gondii exonuclease III APE 0.0038 0.0347 0.097
Echinococcus multilocularis histone deacetylase 8 0.0018 0.0057 0.0037
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0347 0.0959
Brugia malayi mbt repeat family protein 0.0058 0.0638 0.1855
Echinococcus granulosus tumor protein p63 0.034 0.4756 0.8189
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0059 0.0653 0.4681
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0914 0.2703
Chlamydia trachomatis peptide deformylase 0.0223 0.305 1
Schistosoma mansoni hypothetical protein 0.0021 0.0101 0.0175
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0755 0.1247
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.05 0.0806
Onchocerca volvulus 0.0242 0.3319 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.011 0.1395 0.4186
Giardia lamblia Fructose-bisphosphate aldolase 0.0312 0.4344 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1395 0.2406
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.025 0.0432
Mycobacterium ulcerans peptide deformylase 0.0223 0.305 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0311 0.0537
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0057 0.0409
Trypanosoma brucei histone deacetylase 2 0.0018 0.0057 0.0249
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0229 0.0575
Loa Loa (eye worm) hypothetical protein 0.0041 0.0396 0.1109
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0375
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0025 0.0158 0.113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.2893 0.8799
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0326 0.0503
Schistosoma mansoni cpg binding protein 0.0032 0.0272 0.0469
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.05 0.0863
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0235 0.3219 0.5522
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0262 0.3621 0.6221
Schistosoma mansoni smad1 5 8 and 0.0016 0.0036 0.0062
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.1393 0.2829
Schistosoma mansoni histone deacetylase 0.0062 0.0705 0.1216
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0705 0.5053
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.011 0.1395 0.1086
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0158 0.0211
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.2019 0.3776
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0101 0.0201
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0057 0.0098
Schistosoma mansoni hypothetical protein 0.0015 0.0023 0.004
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0914 0.2703
Brugia malayi hypothetical protein 0.0038 0.0352 0.0975
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0705 0.1156
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0638 0.1101
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.3283 1
Brugia malayi beta-lactamase 0.011 0.1395 0.4186
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0347 0.0287
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0174 0.234 0.3999
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0223 0.305 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0352 0.2401
Trypanosoma brucei histone deacetylase 1 0.0062 0.0705 0.497
Echinococcus granulosus histone deacetylase 6 0.0018 0.0057 0.0037
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0057 0.0037
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0038 0.0352 0.0549
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0347 0.2364
Echinococcus multilocularis aminopeptidase N 0.0038 0.0352 0.0549
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0375
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0235 0.3219 0.5522
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1393 0.2829
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0153 0.0204
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0708 0.1222
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1393 0.2829
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.2019 0.1732
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.011 0.1395 0.3877
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0057 0.0409
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0025 0.0158 0.0272
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.0705 0.2165
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0914 0.1576
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0174 0.234 0.3999
Toxoplasma gondii ABC1 family protein 0.011 0.1395 0.4471
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Loa Loa (eye worm) hypothetical protein 0.005 0.0524 0.1503
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Plasmodium falciparum histone deacetylase 1 0.0062 0.0705 0.2165
Plasmodium falciparum plasmepsin X 0.009 0.1115 0.3536
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0914 0.1576
Loa Loa (eye worm) prolyl oligopeptidase 0.0174 0.234 0.7097
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.025 0.0645
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.116 0.1951
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.0705 0.2165
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Schistosoma mansoni Smad4 0.0016 0.0036 0.0062
Schistosoma mansoni zinc finger protein 0.0021 0.011 0.0189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.116 0.1951
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0059 0.0653 0.4681
Schistosoma mansoni histone deacetylase 1 2 3 0.0018 0.0057 0.0098
Echinococcus multilocularis histone deacetylase 7 0.0018 0.0057 0.0037
Mycobacterium tuberculosis Probable lipase LipE 0.011 0.1395 0.1086
Trypanosoma brucei histone deacetylase 4 0.0018 0.0057 0.0249
Brugia malayi phosphofructokinase 0.0109 0.1393 0.418
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Loa Loa (eye worm) RNA binding protein 0.0076 0.0914 0.2703
Loa Loa (eye worm) hypothetical protein 0.0018 0.0057 0.0065
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.011 0.1395 0.1086
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0638 0.1045
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.3283 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0347 0.0287
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Echinococcus granulosus histone deacetylase 6 0.0018 0.0057 0.0037
Mycobacterium tuberculosis Probable esterase LipL 0.011 0.1395 0.1086
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1393 0.2829
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.116 0.3463
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Echinococcus granulosus histone deacetylase 7 0.0018 0.0057 0.0037
Trypanosoma brucei Aminopeptidase M1, putative 0.0038 0.0352 0.2401
Brugia malayi Peptidase family M1 containing protein 0.0038 0.0352 0.0975
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.116 0.2001
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0229 0.0575
Echinococcus multilocularis histone deacetylase 0.0018 0.0057 0.0037
Trypanosoma brucei Polypeptide deformylase 1 0.0085 0.1039 0.7406
Schistosoma mansoni histone deacetylase hda2 0.0018 0.0057 0.0098
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0059 0.0653 0.4592
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1393 0.2402
Brugia malayi Histone deacetylase 1 0.0062 0.0705 0.206
Echinococcus granulosus geminin 0.0205 0.2782 0.4764
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.0705 0.206
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0038 0.0352 0.2526
Brugia malayi hypothetical protein 0.0045 0.0452 0.128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1395 0.2406
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0914 0.2703
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0698 0.1149
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0038 0.0352 0.0608
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1395 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Plasmodium falciparum plasmepsin IX 0.009 0.1115 0.3536
Schistosoma mansoni histone deacetylase 0.0062 0.0705 0.1216
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.2019 0.6184
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.1393 0.2829
Plasmodium vivax peptide deformylase, putative 0.0223 0.305 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0914 0.1576
Loa Loa (eye worm) beta-lactamase 0.011 0.1395 0.4186
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0225 0.0328
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1395 0.2834
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0524 0.0904
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0038 0.0352 0.0608
Loa Loa (eye worm) hypothetical protein 0.0039 0.0361 0.1002
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0352 0.2401
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0311 0.0478
Brugia malayi beta-lactamase family protein 0.011 0.1395 0.4186
Plasmodium vivax aspartyl protease, putative 0.009 0.1115 0.3536
Trypanosoma cruzi ISWI complex protein 0.0015 0.0023 0.0165
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0085 0.1039 0.7448
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0347 0.2364
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0326 0.0503
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0038 0.0352 0.0299
Loa Loa (eye worm) hypothetical protein 0.011 0.1395 0.4186
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0199
Echinococcus granulosus histone deacetylase 1 0.0062 0.0705 0.1161
Leishmania major histone deacetylase, putative 0.0062 0.0705 0.497
Plasmodium vivax hypothetical protein, conserved 0.011 0.1395 0.4471
Trypanosoma cruzi Peptide deformylase 2, putative 0.0085 0.1039 0.7448
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.116 0.1951
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1395 1
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0229 0.0575
Mycobacterium tuberculosis Probable conserved lipoprotein 0.011 0.1395 0.1086
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.116 0.1951
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Brugia malayi Histone deacetylase family protein 0.0018 0.0057 0.0065
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0229 0.0575
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0174 0.234 0.4036
Mycobacterium ulcerans esterase/lipase LipP 0.011 0.1395 0.3877
Brugia malayi hypothetical protein 0.0035 0.0311 0.0848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.05 0.0863
Brugia malayi mbt repeat family protein 0.0058 0.0638 0.1855
Schistosoma mansoni hypothetical protein 0.0205 0.2782 0.4797
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1395 0.2834
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0347 0.249
Treponema pallidum polypeptide deformylase (def) 0.0223 0.305 0.6856
Trypanosoma cruzi Aminopeptidase M1, putative 0.0038 0.0352 0.2526
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.4344 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.025 0.0432
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.022 0.0566
Mycobacterium leprae conserved hypothetical protein 0.011 0.1395 0.0013
Brugia malayi Bromodomain containing protein 0.0077 0.0923 0.2731
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0638 0.1101
Echinococcus multilocularis histone deacetylase 6 0.0018 0.0057 0.0037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0347 0.249
Trypanosoma brucei histone deacetylase, putative 0.0018 0.0057 0.0249
Schistosoma mansoni hypothetical protein 0.0358 0.5014 0.8646
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0057 0.0409
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0755 0.1301
Schistosoma mansoni histone deacetylase 4 5 0.0018 0.0057 0.0098
Echinococcus granulosus dnaJ subfamily B 0.0412 0.5799 1
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.1393 0.2829
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1395 0.2834
Onchocerca volvulus 0.0058 0.0638 0.1781
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0638 0.1045
Brugia malayi beta-lactamase family protein 0.011 0.1395 0.4186
Schistosoma mansoni smad1 5 8 and 0.0016 0.0036 0.0062
Echinococcus multilocularis geminin 0.0205 0.2782 0.4764
Brugia malayi Pre-SET motif family protein 0.0212 0.2893 0.8799
Toxoplasma gondii aspartyl protease ASP3 0.009 0.1115 0.3536
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0705 0.1156
Echinococcus granulosus tar DNA binding protein 0.0076 0.0914 0.1523
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0755 0.1247
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0199
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.0705 0.206
Brugia malayi Histone deacetylase family protein 0.0018 0.0057 0.0065
Echinococcus granulosus histone deacetylase 0.0018 0.0057 0.0037
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0705 0.5053
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.1393 0.2402
Schistosoma mansoni ap endonuclease 0.0038 0.0347 0.0599
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0199
Loa Loa (eye worm) MBCTL1 0.0066 0.0755 0.2213
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0085 0.1039 0.7448
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.0705 0.2165
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0059 0.0653 0.1071
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.0057 0.0409
Echinococcus multilocularis histone deacetylase 1 0.0062 0.0705 0.1161
Loa Loa (eye worm) hypothetical protein 0.0066 0.0755 0.2213
Echinococcus multilocularis zinc finger protein 0.0021 0.011 0.0128
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0174 0.234 0.6999
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.1393 0.2355
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0347 0.0959
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0347 0.054
Plasmodium falciparum peptide deformylase 0.0223 0.305 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0836 0.2464
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0638 0.1045
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0038 0.0352 0.2401
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0347 0.0287
Echinococcus multilocularis cpg binding protein 0.0032 0.0272 0.0409
Loa Loa (eye worm) hypothetical protein 0.0045 0.0448 0.127
Trypanosoma cruzi ISWI complex protein 0.0015 0.0023 0.0165
Giardia lamblia Histone deacetylase 0.0062 0.0705 0.1156
Entamoeba histolytica aminopeptidase, putative 0.0038 0.0352 0.0299
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0347 0.054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.4344 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.1393 0.9985
Echinococcus granulosus cpg binding protein 0.0032 0.0272 0.0409
Brugia malayi 6-phosphofructokinase 0.0109 0.1393 0.418
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0914 0.1576
Loa Loa (eye worm) histone deacetylase 0.0018 0.0057 0.0065
Schistosoma mansoni cathepsin D (A01 family) 0.0104 0.1308 0.2255
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0914 0.1523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.116 0.2001
Mycobacterium tuberculosis Probable lipase LipD 0.011 0.1395 0.1086
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0049 0.0022
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Entamoeba histolytica hypothetical protein 0.0035 0.0311 0.0199
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0049 0.0084
Echinococcus multilocularis beta LACTamase domain containing family member 0.011 0.1395 0.2359
Trypanosoma cruzi aminopeptidase, putative 0.0038 0.0352 0.2526
Mycobacterium ulcerans lipase LipD 0.011 0.1395 0.3877
Schistosoma mansoni cpg binding protein 0.0032 0.0272 0.0469
Schistosoma mansoni hypothetical protein 0.0412 0.5799 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0223 0.305 1
Onchocerca volvulus 0.0038 0.0352 0.0905
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0705 0.1156
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0347 0.097
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0038 0.0352 0.0549
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0059 0.0653 0.1126
Brugia malayi prolyl oligopeptidase family protein 0.0174 0.234 0.7097
Brugia malayi Bromodomain containing protein 0.0039 0.036 0.0999
Brugia malayi PHD-finger family protein 0.0027 0.0188 0.0468
Mycobacterium tuberculosis Conserved protein 0.011 0.1395 0.1086
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0914 0.1576

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.