Detailed information for compound 1349669

Basic information

Technical information
  • TDR Targets ID: 1349669
  • Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1- yl]-N-(3,5-dimethoxyphenyl)acetamide; oxalic acid
  • MW: 503.502 | Formula: C24H29N3O9
  • H donors: 3 H acceptors: 5 LogP: -2.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(=O)O.COc1cc(NC(=O)CN2CCN(CC2)Cc2ccc3c(c2)OCO3)cc(c1)OC
  • InChi: 1S/C22H27N3O5.C2H2O4/c1-27-18-10-17(11-19(12-18)28-2)23-22(26)14-25-7-5-24(6-8-25)13-16-3-4-20-21(9-16)30-15-29-20;3-1(4)2(5)6/h3-4,9-12H,5-8,13-15H2,1-2H3,(H,23,26);(H,3,4)(H,5,6)
  • InChiKey: XLUFCDAABOZNCQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3,5-dimethoxyphenyl)acetamide; oxalic acid
  • 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide; ethanedioic acid
  • 2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-N-(3,5-dimethoxy-phenyl)-acetamide
  • MLS000528543
  • SMR000118118

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 Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica recQ family DNA helicase 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
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative 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
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
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
Loa Loa (eye worm) ATP-dependent DNA helicase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein 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
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, 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
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative 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
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Conserved hypothetical protein 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
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative 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
Theileria parva DNA helicase, putative 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
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans 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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis jumonji domain containing 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi jmjC domain containing protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum hypothetical 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
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Bloom syndrome protein homolog, 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum hypothetical protein 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
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein 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
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni blooms syndrome 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
Plasmodium berghei ATP-dependent DNA helicase Q1, putative 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
Loa Loa (eye worm) hypothetical protein 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis ATP dependent DNA helicase Q1 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0943 0.3075
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2096 0.2962
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0683 0.2947
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0028 0.0119
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Echinococcus granulosus Chromo domain 0.0014 0.0028 0.001
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0095 0.0412
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0898 0.2924
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.025 0.0318
Brugia malayi F/Y-rich N-terminus family protein 0.0015 0.0068 0.0058
Echinococcus granulosus chromobox protein 1 0.0084 0.2096 0.6933
Loa Loa (eye worm) hypothetical protein 0.0037 0.071 0.0977
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0228 0.0681
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1742 0.5748
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0028 0.00000000020771
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.00000000020771
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0423 0.1333
Brugia malayi PHD-finger family protein 0.003 0.0507 0.0687
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8033 0.8028
Schistosoma mansoni chromobox protein 0.0084 0.2096 0.9051
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0943 0.1311
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1966 0.1944
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0683 0.2202
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2096 0.2075
Trypanosoma cruzi ISWI complex protein 0.0018 0.0166 0.0465
Plasmodium vivax SET domain protein, putative 0.0036 0.0683 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0028 0.001
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0475 0.0449
Schistosoma mansoni hypothetical protein 0.0025 0.0355 0.1534
Brugia malayi PHD-finger family protein 0.0035 0.0658 0.0902
Echinococcus granulosus bloom syndrome protein 0.0029 0.0475 0.1507
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Brugia malayi Heterochromatin protein 1 0.0084 0.2096 0.2962
Leishmania major hypothetical protein, conserved 0.0018 0.0166 0.0465
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1966 0.2776
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0028 0.001
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0979 0.3195
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0199 0.2617
Schistosoma mansoni hypothetical protein 0.0014 0.0028 0.0119
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0475 0.1507
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1966 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0318 0.0981
Trypanosoma brucei ISWI complex protein 0.0018 0.0166 0.0465
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1063 0.3476
Brugia malayi Bromodomain containing protein 0.0038 0.0742 0.1023
Schistosoma mansoni hypothetical protein 0.0035 0.0658 0.284
Brugia malayi jmjC domain containing protein 0.0045 0.0943 0.1311
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1288 0.5561
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7012 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0979 0.3195
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0876 0.2848
Loa Loa (eye worm) hypothetical protein 0.0052 0.1137 0.1588
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0475 0.0449
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0658 0.9622
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0943 0.4073
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1115 0.1358
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0078 0.0051
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0078 0.0051
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0658 0.0902
Echinococcus multilocularis chromobox protein 1 0.0084 0.2096 0.6933
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3013 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0095 0.0097
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0658 0.2119
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0658 0.2119
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1966 0.2776
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1115 0.109
Echinococcus granulosus zinc finger protein 0.0024 0.0318 0.0981
Onchocerca volvulus Alhambra homolog 0.0035 0.0658 0.0787
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0028 0.00000000020771
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0228 0.0985
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0028 0.0119
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0028 0.0119
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1966 0.6498
Loa Loa (eye worm) hypothetical protein 0.0046 0.0985 0.1371
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.1087 0.4695
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1966 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0095 0.0237
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0014 0.0028 0.0000000022149
Loa Loa (eye worm) hypothetical protein 0.0047 0.1009 0.1406
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0658 0.9622
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1009 0.0984
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0604 0.0579
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0898 0.2924
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0296 0.1277
Brugia malayi PHD-finger family protein 0.0014 0.0029 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2096 0.2075
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4692 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Echinococcus granulosus Chromobox protein 3 0.0014 0.0028 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1115 0.109
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0604 0.0579
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4692 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1966 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Plasmodium falciparum phd finger protein, putative 0.0035 0.0658 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1288 0.4228
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Schistosoma mansoni chromobox protein 0.0084 0.2096 0.9051
Brugia malayi chromobox protein homolog 3 0.0047 0.1009 0.1406
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1966 0.849
Echinococcus multilocularis Chromo domain 0.0014 0.0028 0.001
Schistosoma mansoni chromobox protein 0.0014 0.0028 0.0119
Echinococcus multilocularis chromobox protein 1 0.0084 0.2096 0.6933
Onchocerca volvulus 0.005 0.1087 0.1324
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0423 0.1333
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0683 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0192 0.2513
Schistosoma mansoni bromodomain containing protein 0.0076 0.1869 0.8072
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0028 0.001
Loa Loa (eye worm) RecQ helicase 0.0029 0.0475 0.0641
Onchocerca volvulus 0.0286 0.8033 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1288 0.4228
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1063 0.3476
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0644 0.2071
Schistosoma mansoni hypothetical protein 0.0018 0.0166 0.0716
Echinococcus granulosus chromobox protein 1 0.0084 0.2096 0.6933
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1288 0.1805
Loa Loa (eye worm) hypothetical protein 0.0035 0.0658 0.0902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0028 0.00000000014548
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0372 0.5457
Brugia malayi SET domain containing protein 0.0015 0.0067 0.0056
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3013 1
Brugia malayi CHD4 protein 0.0016 0.0095 0.0097
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1966 0.6498
Onchocerca volvulus 0.0014 0.0028 0.000000055456
Echinococcus multilocularis chromobox protein 2 0.0014 0.0028 0.001
Entamoeba histolytica hypothetical protein 0.0014 0.0028 0.00000000014548
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1288 0.5561
Schistosoma mansoni zinc finger protein 0.0018 0.0166 0.0716
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0002
Echinococcus multilocularis peregrin 0.0038 0.0742 0.24
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1009 0.0984
Brugia malayi jmjC domain containing protein 0.0115 0.3013 0.4274
Onchocerca volvulus 0.0037 0.071 0.0852
Trypanosoma cruzi ISWI complex protein 0.0018 0.0166 0.0465
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0095 0.0237
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0658 0.9622
Brugia malayi Bromodomain containing protein 0.0091 0.2286 0.3233
Echinococcus granulosus peregrin 0.0038 0.0742 0.24
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0475 0.0641
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0943 0.4073
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1009 0.1226
Brugia malayi Bromodomain containing protein 0.0046 0.0983 0.1367
Schistosoma mansoni chromobox protein 0.0014 0.0028 0.0119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0028 0.0000000023019
Brugia malayi Pre-SET motif family protein 0.0251 0.7012 1
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0028 0.0000000022149
Schistosoma mansoni zinc finger protein 0.0024 0.0318 0.1372
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.3913 0.5563
Loa Loa (eye worm) hypothetical protein 0.0085 0.2134 0.3015
Echinococcus granulosus chromobox protein 2 0.0014 0.0028 0.001
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2316 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0228 0.0985
Loa Loa (eye worm) hypothetical protein 0.0049 0.1069 0.1491
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0228 0.0681
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1742 0.5748
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1966 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0683 0.0938
Loa Loa (eye worm) hypothetical protein 0.006 0.1397 0.1961
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4692 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.176 0.248
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0028 0.00000000014548
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0355 0.0469
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0423 0.1827
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0658 0.284

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 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) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.0966 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a: Hit Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 17.7828 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) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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