Detailed information for compound 1521188

Basic information

Technical information
  • TDR Targets ID: 1521188
  • Name: 1-nitro-N-[3-(2-nitroimidazol-1-yl)propyl]acr idin-9-amine hydrochloride
  • MW: 428.829 | Formula: C19H17ClN6O4
  • H donors: 1 H acceptors: 6 LogP: 4.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1nccn1CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-].Cl
  • InChi: 1S/C19H16N6O4.ClH/c26-24(27)16-8-3-7-15-17(16)18(13-5-1-2-6-14(13)22-15)20-9-4-11-23-12-10-21-19(23)25(28)29;/h1-3,5-8,10,12H,4,9,11H2,(H,20,22);1H
  • InChiKey: XEGWFTABWZJOJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-hydroxy-9-[3-[2-(hydroxy-oxidoazaniumyl)imidazol-1-yl]propylamino]acridin-1-amine oxide hydrochloride
  • N-hydroxy-9-[3-[2-(hydroxy-oxido-ammonio)imidazol-1-yl]propylamino]acridin-1-amine oxide hydrochloride
  • N-hydroxy-9-[3-[2-(hydroxy-oxidoammonio)-1-imidazolyl]propylamino]-1-acridinamine oxide hydrochloride
  • 1-nitro-N-[3-(2-nitro-1-imidazolyl)propyl]-9-acridinamine hydrochloride
  • (1-nitroacridin-9-yl)-[3-(2-nitroimidazol-1-yl)propyl]amine hydrochloride
  • N-hydroxy-9-[3-[2-(hydroxy-oxido-azaniumyl)imidazol-1-yl]propylamino]acridin-1-amine oxide hydrochloride
  • 9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl
  • NSC676514

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii ATP-dependent DNA helicase-related 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi ATP-dependent DNA helicase, RecQ family 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
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis bloom syndrome protein 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva hypothetical protein 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis ATP-dependent DNA helicase, RecQ family protein 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
Loa Loa (eye worm) RecQ helicase 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative 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
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative 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
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis ATP dependent DNA helicase Q5 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
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.049 0.4007
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0474 0.0687
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1058 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0475 0.385
Brugia malayi hypothetical protein 0.003 0.1058 0.1535
Schistosoma mansoni hypothetical protein 0.0014 0.0197 0.0197
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3423 0.4963
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3423 0.4899
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0197 0.0197
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1058 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1058 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0475 0.068
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.011 0.011
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6896 0.9871
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0502 0.046
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0475 0.0689
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.0474
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6896 0.9871
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.0474
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1058 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2586 0.375
Echinococcus granulosus bloom syndrome protein 0.0029 0.0984 0.0984
Entamoeba histolytica hypothetical protein 0.0043 0.1726 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0197 0.0197
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0475 0.2402
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0474 0.0474
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1726 0.1726
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.011 0.016
Schistosoma mansoni DNA helicase recq5 0.0012 0.011 0.011
Brugia malayi isocitrate dehydrogenase 0.0019 0.0475 0.0689
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2586 0.3702
Entamoeba histolytica hypothetical protein 0.0043 0.1726 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.011 0.011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0474 0.0474
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0671 0.0671
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0475 0.385
Echinococcus granulosus tar DNA binding protein 0.0076 0.3423 0.3423
Brugia malayi hypothetical protein 0.002 0.0505 0.0732
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.011 0.0000000029503
Entamoeba histolytica hypothetical protein 0.0043 0.1726 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1726 0.1726
Schistosoma mansoni hypothetical protein 0.0041 0.1608 0.1608
Brugia malayi TAR-binding protein 0.0076 0.3423 0.4963
Leishmania major hypothetical protein, conserved 0.003 0.1058 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0475 0.0475
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0475 0.2402
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0984 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0475 0.0475
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3423 0.3423
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0475 0.0475
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.011 0.016
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1608 0.2332
Brugia malayi hypothetical protein 0.0043 0.1726 0.2503
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.011 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1058 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0475 0.0475
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0475 0.5
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0984 0.0984
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3423 0.4899
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.0474
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0474 0.0474
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.0146 0.6986 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0475 0.2402
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0474 0.0474
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.006 0.2586 0.3702
Schistosoma mansoni hypothetical protein 0.0043 0.1726 0.1726
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0475 0.0475
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0475 0.2402
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1058 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0474 0.0687
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0475 0.0475
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0475 0.2402
Loa Loa (eye worm) hypothetical protein 0.0041 0.1608 0.2302
Loa Loa (eye worm) RecQ helicase 0.0029 0.0984 0.1408
Loa Loa (eye worm) RNA binding protein 0.0076 0.3423 0.4899
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1726 0.1726
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0019 0.0474 0.0678
Echinococcus granulosus GPCR family 2 0.0019 0.0474 0.0474
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0043 0.1726 1
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.0474
Brugia malayi MH2 domain containing protein 0.0144 0.6896 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1058 0.1515
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0984 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0475 0.385
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0474 0.0678
Loa Loa (eye worm) hypothetical protein 0.0012 0.011 0.0158
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1058 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0803 0.7309
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0984 0.1427
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0474 0.0474
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2586 0.375
Brugia malayi RNA binding protein 0.0076 0.3423 0.4963
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.011 0.0158

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -10 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -10 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -10 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.792 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.728 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.549 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.523 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.119 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -9.051 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -8.862 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.013 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0736 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation in HepG2 cytotox. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 0.1032 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 0.13 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1458 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 0.1636 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2593 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2818 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7519 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.632 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Giardia lamblia

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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