Detailed information for compound 1594465

Basic information

Technical information
  • TDR Targets ID: 1594465
  • Name: 2-[2-[(E)-[[4-[(2,4-dimethylphenyl)sulfamoyl] -2-nitrophenyl]hydrazinylidene]methyl]phenoxy ]acetic acid
  • MW: 498.508 | Formula: C23H22N4O7S
  • H donors: 3 H acceptors: 6 LogP: 4.74 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1ccccc1/C=N/Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(cc1C)C
  • InChi: 1S/C23H22N4O7S/c1-15-7-9-19(16(2)11-15)26-35(32,33)18-8-10-20(21(12-18)27(30)31)25-24-13-17-5-3-4-6-22(17)34-14-23(28)29/h3-13,25-26H,14H2,1-2H3,(H,28,29)/b24-13+
  • InChiKey: KTRPQRRUSCXPIR-ZMOGYAJESA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[(E)-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]hydrazono]methyl]phenoxy]acetic acid
  • 2-[2-[(E)-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl]hydrazono]methyl]phenoxy]acetic acid
  • 2-[2-[(E)-[[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl]hydrazinylidene]methyl]phenoxy]ethanoic acid
  • MLS000773907
  • SMR000364730
  • T0508-0382

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Human immunodeficiency virus 1 Envelope glycoprotein gp160 Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0719 0.1131
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0028 0.0044
Echinococcus granulosus bloom syndrome protein 0.0026 0.0146 0.0146
Trypanosoma brucei ISWI complex protein 0.0018 0.0057 0.5
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0028 0.0028
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0083 0.0083
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0262 0.0411
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0352 0.0352
Echinococcus granulosus jumonji domain containing protein 0.0049 0.043 0.043
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0262 0.0648
Brugia malayi jmjC domain containing protein 0.0115 0.1239 0.1948
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0083 0.0083
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0859 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0083 0.0131
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0262 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0239 0.2789
Leishmania major hypothetical protein, conserved 0.0018 0.0057 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0712 0.0712
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0 0.5
Schistosoma mansoni lozenge 0.0067 0.0651 0.0651
Echinococcus granulosus peregrin 0.0038 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0021 0.0083 0.013
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0164 0.0164
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0136 0.0214
Loa Loa (eye worm) hypothetical protein 0.0014 0.0001 0.0001
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.4037 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0108 0.0268
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0045 0.011
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0146 0.1705
Loa Loa (eye worm) hypothetical protein 0.0535 0.6358 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0262 0.0648
Brugia malayi Bromodomain containing protein 0.0038 0.0296 0.0466
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0361 0.0361
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0049 0.0432 0.068
Brugia malayi F/Y-rich N-terminus family protein 0.0014 0.0001 0.0001
Giardia lamblia PHD finger protein 15 0.0035 0.0262 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1239 0.1239
Loa Loa (eye worm) hypothetical protein 0.0047 0.0407 0.0641
Echinococcus granulosus chromobox protein 1 0.0084 0.0859 0.0859
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.4037 0.5
Brugia malayi PHD-finger family protein 0.0035 0.0262 0.0411
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.008 0.008
Brugia malayi chromobox protein homolog 3 0.0047 0.0407 0.0641
Brugia malayi PHD-finger family protein 0.0014 0.0001 0.0001
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0859 0.135
Brugia malayi CHD4 protein 0.0016 0.0028 0.0044
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0262 0.0262
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0451 0.5254
Loa Loa (eye worm) hypothetical protein 0.0035 0.0262 0.0411
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0146 0.1705
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.038 0.0598
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.043 0.043
Echinococcus multilocularis chromobox protein 1 0.0084 0.0859 0.0859
Brugia malayi PHD-finger family protein 0.003 0.0199 0.0313
Echinococcus multilocularis chromobox protein 1 0.0084 0.0859 0.0859
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0859 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0361 0.0361
Entamoeba histolytica hypothetical protein 0.0014 0 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0057 0.0057
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0451 0.5254
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0164 0.0164
Brugia malayi Bromodomain containing protein 0.0046 0.0396 0.0623
Schistosoma mansoni zinc finger protein 0.0024 0.012 0.012
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0262 0.0262
Schistosoma mansoni chromobox protein 0.0084 0.0859 0.0859
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0451 0.0311
Loa Loa (eye worm) hypothetical protein 0.0085 0.0874 0.1375
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0164 0.0164
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0083 0.0083
Echinococcus granulosus zinc finger protein 0.0024 0.012 0.012
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.4037 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0859 0.135
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0083 0.0083
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.038 0.038
Brugia malayi jmjC domain containing protein 0.0045 0.038 0.0598
Brugia malayi Bromodomain containing protein 0.0091 0.0937 0.1474
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0083 0.0083
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0083 0.0083
Schistosoma mansoni chromobox protein 0.0084 0.0859 0.0859
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.4037 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0262 0.0262
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.038 0.038
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0028 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.4746
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0 0.5
Loa Loa (eye worm) runx1 0.0067 0.0651 0.1023
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0146 0.023
Schistosoma mansoni zinc finger protein 0.0018 0.0057 0.0057
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0262 1
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0028 0.0028
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.038 0.038
Treponema pallidum hypothetical protein 0.0345 0.4037 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0283 0.0445
Onchocerca volvulus 0.0535 0.6358 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.095 0.095
Trypanosoma cruzi ISWI complex protein 0.0018 0.0057 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0764 0.0764
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0397 0.0625
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0042 0.1608
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1239 0.1239
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.4037 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0092 0.0145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0052 0.046 0.0724
Onchocerca volvulus 0.0037 0.0283 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.4746
Brugia malayi hypothetical protein 0.0535 0.6358 1
Echinococcus multilocularis zinc finger protein 0.0024 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.006 0.0568 0.0894
Loa Loa (eye worm) RecQ helicase 0.0026 0.0146 0.023
Loa Loa (eye worm) hypothetical protein 0.0535 0.6358 1
Schistosoma mansoni hypothetical protein 0.0025 0.0136 0.0136
Echinococcus granulosus chromobox protein 1 0.0084 0.0859 0.0859
Echinococcus multilocularis Protein lozenge 0.0067 0.0651 0.0651
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0239 0.2789
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0407 0.0239
Trypanosoma cruzi ISWI complex protein 0.0018 0.0057 0.5
Echinococcus multilocularis peregrin 0.0038 0.0296 0.0296
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0262 0.0262
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0712 0.0712
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0146 0.0146

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 6.32 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 13.8 uM PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967] ChEMBL. No reference
IC50 (functional) 23.3 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 43.91 uM PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] ChEMBL. No reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 9.285 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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