Detailed information for compound 1122864

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 403.392 | Formula: C15H9N5O5S2
  • H donors: 2 H acceptors: 6 LogP: 3.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1nc2c(s1)ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C15H9N5O5S2/c21-13(8-1-3-9(4-2-8)19(22)23)17-14(26)18-15-16-11-7-10(20(24)25)5-6-12(11)27-15/h1-7H,(H2,16,17,18,21,26)
  • InChiKey: CELMPJGRISMDOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0031 0.031 0.0275
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0472 0.0429
Schistosoma mansoni ap endonuclease 0.002 0.0126 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.2209 0.2143
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0591 0.051
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0608 1 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.07 0.07
Onchocerca volvulus 0.0078 0.1102 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0126 0.0041
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.031 0.1175
Echinococcus multilocularis zinc finger protein 0.0028 0.0263 0.0219
Loa Loa (eye worm) phosphofructokinase 0.0113 0.1693 0.1664
Schistosoma mansoni hypothetical protein 0.0023 0.0185 0.0101
Toxoplasma gondii histone lysine methyltransferase SET1 0.0068 0.0942 0.8353
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.2988 0.2957
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1693 0.1587
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0591 0.0557
Mycobacterium tuberculosis Probable hydrolase 0.0078 0.1102 0.0989
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0595 0.0514
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0252 0.0208
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0591 0.0548
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0078 0.1102 0.0989
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.4579 0.451
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0608 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.1102 0.1071
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0008
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0531 1
Echinococcus granulosus zinc finger protein 0.0028 0.0263 0.0219
Echinococcus multilocularis musashi 0.0031 0.031 0.0266
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0285 0.4579 0.451
Loa Loa (eye worm) hypothetical protein 0.0043 0.0518 0.0484
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.1102 0.1026
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0591 0.051
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0595 0.0514
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1693 0.1587
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.1693 0.1587
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0608 1 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0608 1 1
Mycobacterium ulcerans hypothetical protein 0.0078 0.1102 0.374
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0595 0.0514
Trichomonas vaginalis esterase, putative 0.0078 0.1102 0.0989
Onchocerca volvulus 0.0032 0.0343 0.0419
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.031 0.0186
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.031 0.1885
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0126 0.0081
Brugia malayi beta-lactamase 0.0078 0.1102 0.1102
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0731 0.0731
Schistosoma mansoni zinc finger protein 0.0028 0.0263 0.018
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0338 0.5465 0.5426
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0126 0.0041
Mycobacterium tuberculosis Conserved protein 0.0078 0.1102 0.0989
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0126 0.0126
Mycobacterium tuberculosis Conserved protein 0.0078 0.1102 0.0989
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0093 0.0049
Echinococcus granulosus lamin dm0 0.0031 0.031 0.0266
Mycobacterium tuberculosis Conserved hypothetical protein 0.0178 0.2783 0.2691
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0078 0.1102 0.0989
Toxoplasma gondii ABC1 family protein 0.0078 0.1102 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0531 0.041
Schistosoma mansoni hypothetical protein 0.0038 0.0436 0.0354
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1693 0.1587
Echinococcus granulosus aspartyl aminopeptidase 0.0608 1 1
Echinococcus granulosus intermediate filament protein 0.0031 0.031 0.0266
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0642 0.0523
Mycobacterium ulcerans hypothetical protein 0.0178 0.2783 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.5206 0.5189
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0078 0.1102 0.0989
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0098 0.0014
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0118 0.0073
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.1693 0.1622
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.031 0.0275
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0608 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.2988 0.2957
Brugia malayi Cytochrome P450 family protein 0.0018 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Schistosoma mansoni cpg binding protein 0.0036 0.041 0.0328
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0252 0.0168
Echinococcus granulosus cpg binding protein 0.0036 0.041 0.0367
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0093 0.0049
Echinococcus multilocularis lamin 0.0031 0.031 0.0266
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1102 0.1026
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0608 1 1
Schistosoma mansoni hypothetical protein 0.0291 0.4684 0.4639
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0093 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.2209 0.2143
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0008
Loa Loa (eye worm) hypothetical protein 0.0018 0.0093 0.0058
Leishmania major cytochrome p450-like protein 0.0018 0.0098 0.0014
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0285 0.4579 0.451
Brugia malayi acetyltransferase, GNAT family protein 0.0165 0.2562 0.2562
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0098 0.0063
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.031 0.0186
Schistosoma mansoni intermediate filament proteins 0.0031 0.031 0.0227
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Brugia malayi Bromodomain containing protein 0.009 0.1303 0.1303
Echinococcus multilocularis GPCR, family 2 0.0018 0.0093 0.0049
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.031 0.1885
Onchocerca volvulus 0.0078 0.1102 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.2209 0.2175
Onchocerca volvulus 0.0078 0.1102 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.031 0.0186
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.2209 0.2209
Echinococcus multilocularis lamin dm0 0.0031 0.031 0.0266
Echinococcus granulosus geminin 0.0189 0.2977 0.2946
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0608 1 1
Echinococcus multilocularis muscleblind protein 1 0.0322 0.5206 0.5184
Mycobacterium tuberculosis Probable esterase LipL 0.0078 0.1102 0.0989
Loa Loa (eye worm) hypothetical protein 0.0079 0.1125 0.1093
Loa Loa (eye worm) MBCTL1 0.0054 0.07 0.0667
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.1693 0.5941
Plasmodium vivax hypothetical protein, conserved 0.0078 0.1102 0.0989
Brugia malayi intermediate filament protein 0.0031 0.031 0.031
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0608 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0591 0.0548
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0093 0.0049
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0591 0.0548
Loa Loa (eye worm) hypothetical protein 0.0608 1 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.031 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.1102 0.1062
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0436 0.0436
Schistosoma mansoni cpg binding protein 0.0032 0.0343 0.026
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.1693 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0608 1 1
Loa Loa (eye worm) acetyltransferase 0.0165 0.2562 0.2535
Schistosoma mansoni ap endonuclease 0.002 0.0126 0.0041
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0072 0.0072
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0098 0.0014
Brugia malayi 6-phosphofructokinase 0.0113 0.1693 0.1693
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.2209 0.2143
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0072 0.0037
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0642 0.5285
Mycobacterium tuberculosis Conserved protein 0.0078 0.1102 0.0989
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.1102 0.1026
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Schistosoma mansoni bromodomain containing protein 0.0077 0.1083 0.1007
Entamoeba histolytica aminopeptidase, putative 0.0608 1 1
Echinococcus multilocularis geminin 0.0189 0.2977 0.2946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.013 0.0045
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Echinococcus multilocularis aspartyl aminopeptidase 0.0608 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.1102 0.0989
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.1102 0.0989
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.248 0.2416
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.2209 0.2182
Loa Loa (eye worm) hypothetical protein 0.0038 0.0436 0.0402
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0118 0.0033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.1016 0.0975
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.07 0.0621
Brugia malayi 6-phosphofructokinase 0.0113 0.1693 0.1693
Echinococcus granulosus GPCR family 2 0.0018 0.0093 0.0049
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0338 0.5465 0.5426
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0098 0.0014
Brugia malayi Muscleblind-like protein 0.0322 0.5206 0.5206
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0185 0.015
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0008
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1693 0.1587
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.07 0.0659
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0608 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0126 0.0081
Loa Loa (eye worm) intermediate filament protein 0.0031 0.031 0.0275
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1693 0.1587
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0642 0.5285
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.031 0.4544
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1693 0.1622
Loa Loa (eye worm) hypothetical protein 0.0056 0.0731 0.0698
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0731 0.0698
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0126 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0093 0.0058
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1693 0.1664
Echinococcus granulosus lamin 0.0031 0.031 0.0266
Brugia malayi CXXC zinc finger family protein 0.0032 0.0343 0.0343
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.248 0.2416
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0165 0.2562 0.2498
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0098 0.0063
Loa Loa (eye worm) hypothetical protein 0.0054 0.07 0.0667
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0769 0.069
Echinococcus multilocularis muscleblind protein 0.0322 0.5206 0.5184
Schistosoma mansoni hypothetical protein 0.0189 0.2977 0.2917
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.013 0.0085
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0098 0.0063
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.07 0.0659
Mycobacterium ulcerans lipase LipD 0.0078 0.1102 0.374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.2209 0.2175
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.4579 0.451
Schistosoma mansoni lamin 0.0031 0.031 0.0227
Loa Loa (eye worm) aspartyl aminopeptidase 0.0608 1 1
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0608 1 1
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.031 0.1885
Mycobacterium tuberculosis Probable lipase LipE 0.0078 0.1102 0.0989
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0608 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1102 0.1026
Trichomonas vaginalis hypothetical protein 0.0285 0.4579 0.451
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.013 0.0045
Brugia malayi Bromodomain containing protein 0.0047 0.0583 0.0583
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.07 0.0659
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0338 0.5465 0.5426
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.1016 0.0975
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0591 0.0548
Schistosoma mansoni lamin 0.0031 0.031 0.0227
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.031 0.0186
Brugia malayi Cytochrome P450 family protein 0.0018 0.0098 0.0098
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.1102 0.374
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0497 0.8134 0.811
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1102 0.0989
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1693 0.1622
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0608 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0078 0.1102 0.0989
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.2209 0.2175
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0126 0.0041
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0608 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0954 0.0877
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0252 0.0208
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.031 0.0186
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0595 0.0514
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0118 0.0033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0126 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1102 0.0989
Loa Loa (eye worm) hypothetical protein 0.0608 1 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.1693 0.0664
Echinococcus multilocularis cpg binding protein 0.0036 0.041 0.0367
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0642 0.06
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0642 0.0523
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.031 0.5
Echinococcus granulosus muscleblind protein 0.0322 0.5206 0.5184
Loa Loa (eye worm) hypothetical protein 0.0322 0.5206 0.5189
Onchocerca volvulus 0.0047 0.0591 0.3544
Brugia malayi mbt repeat family protein 0.0047 0.0591 0.0591
Toxoplasma gondii hypothetical protein 0.0054 0.0712 0.6
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0093 0.0049
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.07 0.0659
Brugia malayi beta-lactamase family protein 0.0078 0.1102 0.1102
Brugia malayi PHD-finger family protein 0.0034 0.0363 0.0363
Mycobacterium ulcerans beta-lactamase 0.0078 0.1102 0.374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.2209 0.2175
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.1102 0.1062
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.2441 0.2407
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0731 0.0731
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0591 0.3544
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0165 0.2562 0.2528
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.013 0.0085
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Brugia malayi mbt repeat family protein 0.0047 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.0054 0.0696 0.0663
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1693 0.1587
Loa Loa (eye worm) hypothetical protein 0.002 0.013 0.0095
Loa Loa (eye worm) hypothetical protein 0.0015 0.0045 0.0009
Loa Loa (eye worm) hypothetical protein 0.003 0.03 0.0266
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1693 0.1664
Schistosoma mansoni hypothetical protein 0.0189 0.2977 0.2917
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1693 0.1622
Schistosoma mansoni cpg binding protein 0.0036 0.041 0.0328
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.1102 0.1102
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.1102 0.0989
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.031 0.0186
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1693 0.1587
Loa Loa (eye worm) beta-lactamase 0.0078 0.1102 0.1071
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0285 0.4579 0.451
Brugia malayi beta-lactamase family protein 0.0078 0.1102 0.1102
Leishmania major mitochondrial DNA polymerase beta 0.0338 0.5465 0.5426
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.1693 0.1656
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0093 0.0093
Leishmania major hypothetical protein, conserved 0.0078 0.1102 0.1026
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.248 0.2416
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.4579 0.451
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0608 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.0093 0.0008
Brugia malayi phosphofructokinase 0.0113 0.1693 0.1693
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1693 0.1622
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.1693 0.1656
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0591 0.051
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0126 0.0091
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0472 0.0429
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0118 0.0073
Loa Loa (eye worm) bromodomain containing protein 0.0024 0.0196 0.0161
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0343 0.0309
Loa Loa (eye worm) hypothetical protein 0.005 0.0629 0.0595
Loa Loa (eye worm) hypothetical protein 0.0078 0.1102 0.1071
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1102 0.1026
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.1102 0.374
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0126 0.0102
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.031 0.031
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.031 0.0186
Loa Loa (eye worm) hypothetical protein 0.0047 0.0591 0.0557
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0642 0.0523
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0531 0.041

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 35.23 uM Cytotoxicity against human MCF7 after 24 hrs by MTT assay ChEMBL. 20056520
IC50 (functional) = 68.47 uM Cytotoxicity against human HeLa after 24 hrs by MTT assay ChEMBL. 20056520
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 after 48 hrs by browth microdilution assay ChEMBL. 20056520
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by browth microdilution assay ChEMBL. 20056520

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

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