Detailed information for compound 1311347

Basic information

Technical information
  • TDR Targets ID: 1311347
  • Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-meth oxypropyl)triazole-4-carboxamide
  • MW: 326.754 | Formula: C14H16ClFN4O2
  • H donors: 1 H acceptors: 3 LogP: 1.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)c1nnn(c1)Cc1c(F)cccc1Cl
  • InChi: 1S/C14H16ClFN4O2/c1-22-7-3-6-17-14(21)13-9-20(19-18-13)8-10-11(15)4-2-5-12(10)16/h2,4-5,9H,3,6-8H2,1H3,(H,17,21)
  • InChiKey: SLPQUKLHWPACJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3-methoxypropyl)triazole-4-carboxamide
  • 1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methoxypropyl)-4-triazolecarboxamide
  • 1-(2-chloro-6-fluoro-benzyl)-N-(3-methoxypropyl)triazole-4-carboxamide
  • 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3-methoxypropyl)-1,2,3-triazole-4-carboxamide
  • ASN 09169140
  • 1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid (3-methoxy-propyl)-amide
  • MLS000034490
  • SMR000000636
  • ZINC04985631

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0066 0.1592 0.6044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0309 0.0445
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0062 0.0163
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0017 0.00000000045326
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0617 0.0617
Entamoeba histolytica hypothetical protein 0.0075 0.1851 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000045326
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0391 0.1303
Trypanosoma brucei unspecified product 0.0028 0.0467 0.1718
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.2936 0.2936
Schistosoma mansoni tar DNA-binding protein 0.0068 0.167 0.167
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0582 0.0582
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0101 0.2622 0.2622
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0309 0.0309
Echinococcus multilocularis chromobox protein 1 0.0075 0.1871 0.1871
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Plasmodium falciparum DNA repair protein REV1, putative 0.0012 0.002 0.001
Schistosoma mansoni jumonji domain containing protein 0.0082 0.2068 0.2068
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0832 0.3123
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Schistosoma mansoni DNA polymerase IV / kappa 0.0012 0.002 0.002
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0391 0.1303
Schistosoma mansoni SET domain protein 0.0033 0.0612 0.0612
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000070914
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0017 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0309 0.0445
Echinococcus granulosus peregrin 0.0041 0.086 0.086
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.011 0.2886 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0467 0.1718
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0777 0.0777
Brugia malayi hypothetical protein 0.0025 0.0391 0.0563
Loa Loa (eye worm) hypothetical protein 0.0032 0.0582 0.0838
Schistosoma mansoni hypothetical protein 0.0012 0.0017 0.0017
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0309 0.0309
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0991 1
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0309 0.0309
Echinococcus multilocularis chromobox protein 1 0.0075 0.1871 0.1871
Loa Loa (eye worm) hypothetical protein 0.0131 0.35 0.504
Loa Loa (eye worm) hypothetical protein 0.0103 0.2698 0.3886
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0017 0.0017
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0062 0.0163
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0391 0.1303
Onchocerca volvulus 0.0033 0.0628 0.6276
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.1871 0.2695
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0309 0.0309
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.0617
Echinococcus granulosus dna polymerase eta 0.0093 0.2388 0.2388
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0309 0.0445
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0777 0.0777
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000070914
Schistosoma mansoni smad 0.0017 0.0151 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0897 0.3067
Brugia malayi steroid hormone receptor 0.0022 0.0309 0.0445
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0101 0.2622 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0617 0.0889
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.157 0.2261
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0832 0.3123
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0116 0.0116
Brugia malayi nuclear hormone receptor 0.0022 0.0309 0.0445
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0418 0.1398
Giardia lamblia PHD finger protein 15 0.0032 0.0582 0.1961
Entamoeba histolytica hypothetical protein 0.0012 0.0017 0.00000000070914
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.0617
Schistosoma mansoni tar DNA-binding protein 0.0068 0.167 0.167
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0033 0.0612 0.0612
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0309 0.0309
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1871 0.6464
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0116 0.0345
Brugia malayi PHD-finger family protein 0.0032 0.0582 0.0838
Brugia malayi isocitrate dehydrogenase 0.0016 0.0116 0.0167
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0012 0.0017 0.00000000045326
Loa Loa (eye worm) hypothetical protein 0.0101 0.2627 0.3784
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0832 0.3123
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000045326
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0309 0.0309
Brugia malayi hypothetical protein 0.0075 0.1851 0.2666
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0116 0.0369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0309 0.0445
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.1575 0.5978
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0309 0.0445
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0309 0.0445
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0897 0.9031
Brugia malayi Heterochromatin protein 1 0.0075 0.1871 0.2695
Echinococcus multilocularis dna polymerase eta 0.0093 0.2388 0.2388
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Brugia malayi MH2 domain containing protein 0.0248 0.6943 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0391 0.1426
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0165 0.0514
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0991 0.3396
Plasmodium vivax DNA repair protein REV1, putative 0.0012 0.002 0.001
Onchocerca volvulus 0.0022 0.0309 0.2995
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0415 0.1388
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0582 0.1969
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0582 0.0838
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0171 0.0536
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0032 0.0609 0.2264
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000045326
Schistosoma mansoni chromobox protein 0.0012 0.0017 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0897 0.3067
Onchocerca volvulus Alhambra homolog 0.0032 0.0582 0.5798
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Schistosoma mansoni hypothetical protein 0.0071 0.1735 0.1735
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0582 0.1969
Echinococcus multilocularis geminin 0.0351 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0832 0.1199
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0582 0.1969
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0116 0.0369
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0101 0.2622 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0832 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0101 0.2622 0.3776
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0309 0.0309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0309 0.0445
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Loa Loa (eye worm) RNA binding protein 0.0068 0.167 0.2405
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0062 0.0247
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0012 0.002 0.001
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0309 0.0309
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0309 0.0309
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0832 0.0832
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0066 0.1592 0.5491
Entamoeba histolytica hypothetical protein 0.0075 0.1851 1
Echinococcus multilocularis tar DNA binding protein 0.0068 0.167 0.167
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0309 0.0309
Echinococcus granulosus Smad4 0.0017 0.0151 0.0151
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0101 0.2622 0.2622
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0017 0.0017
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0832 0.3123
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0945 0.0945
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0832 0.3123
Brugia malayi chromobox protein homolog 3 0.0042 0.0897 0.1292
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0116 0.0369
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0309 0.0309
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0309 0.0445
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0617 0.0617
Echinococcus granulosus GPCR family 2 0.0033 0.0617 0.0617
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0309 0.0309
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0033 0.0637 0.2374
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2698 0.3886
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Loa Loa (eye worm) RecQ helicase 0.0026 0.0418 0.0602
Schistosoma mansoni tar DNA-binding protein 0.0068 0.167 0.167
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.0617
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.011 0.2886 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.2622 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.011 0.2886 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0116 0.0167
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0116 0.0116
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0017 0.0024
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0415 0.138
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0415 0.2172
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0777 0.1119
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.6943 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.167 0.2405
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0309 0.0309
Echinococcus granulosus bloom syndrome protein 0.0026 0.0418 0.0418
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1851 0.1851
Trypanosoma brucei unspecified product 0.0028 0.0467 0.1718
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0116 0.0116
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0832 0.0832
Loa Loa (eye worm) Smad1 0.0017 0.0151 0.0217
Trypanosoma brucei unspecified product 0.004 0.0832 0.3123
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0151 0.0217
Schistosoma mansoni hypothetical protein 0.0351 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0832 0.4447
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0309 0.0445
Echinococcus granulosus flap endonuclease 1 0.0026 0.0415 0.0415
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0309 0.0309
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0116 0.0116
Brugia malayi Protein cec-1. 0.0012 0.0017 0.0024
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.2693 0.2693
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0309 0.0445
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0116 0.0369
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0832 0.0832
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0832 0.3123
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0832 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0101 0.2622 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0151 0.0151
Brugia malayi polk-prov protein 0.0012 0.002 0.0029
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0418 0.0418
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2698 0.3886
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0391 0.1426
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0309 0.0445
Onchocerca volvulus 0.0013 0.0049 0.0329
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0309 0.0309
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Brugia malayi nuclear receptor NHR-88 0.0022 0.0309 0.0445
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0151 0.0151
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0582 0.0582
Echinococcus multilocularis dna polymerase kappa 0.004 0.0832 0.0832
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0017 0.0017
Schistosoma mansoni chromobox protein 0.0075 0.1871 0.1871
Brugia malayi Smad1 0.0017 0.0151 0.0217
Schistosoma mansoni tar DNA-binding protein 0.0068 0.167 0.167
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0017 0.0017
Schistosoma mansoni smad1 5 8 and 0.0017 0.0151 0.0151
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0534 0.1802
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.2622 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0309 0.0445
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0467 0.1718
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0012 0.002 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0582 0.0582
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0101 0.2622 0.2622
Schistosoma mansoni Smad4 0.0017 0.0151 0.0151
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0832 0.1199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2698 0.3886
Giardia lamblia DINP protein human, muc B family 0.004 0.0832 0.2835
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0832 0.2842
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.011 0.2886 1
Plasmodium falciparum flap endonuclease 1 0.0026 0.0415 0.1388
Brugia malayi ImpB/MucB/SamB family protein 0.0093 0.2388 0.3439
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0116 0.0116
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.167 0.2405
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0151 0.0151
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0151 0.0151
Echinococcus granulosus Chromobox protein 3 0.0012 0.0017 0.0017
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0013 0.0049 0.0049
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0309 0.2995
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0017 0.0017
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.2693 0.2693
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0309 0.0445
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0116 0.0369
Loa Loa (eye worm) hypothetical protein 0.0033 0.0617 0.0889
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0309 0.0309
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0309 0.0309
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0391 0.1426
Brugia malayi MH1 domain containing protein 0.0017 0.0151 0.0217
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000070914
Loa Loa (eye worm) hypothetical protein 0.0071 0.1735 0.2498
Schistosoma mansoni hypothetical protein 0.0075 0.1851 0.1851
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0777 0.0777
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0418 0.1398
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0418 0.0602
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0309 0.0309
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.011 0.2886 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Echinococcus multilocularis smad 0.0017 0.0151 0.0151
Brugia malayi RNA binding protein 0.0068 0.167 0.2405
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0017 0.0017
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0017 0.0017
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0017 0.0024
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.0029
Entamoeba histolytica hypothetical protein 0.0075 0.1851 1
Schistosoma mansoni hypothetical protein 0.0351 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0309 0.0445
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0991 0.3396
Loa Loa (eye worm) hypothetical protein 0.0025 0.0391 0.0563
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0832 0.3123
Schistosoma mansoni tar DNA-binding protein 0.0068 0.167 0.167
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0257 0.0257
Echinococcus granulosus chromobox protein 1 0.0075 0.1871 0.1871
Schistosoma mansoni hypothetical protein 0.0032 0.0582 0.0582
Entamoeba histolytica hypothetical protein 0.0075 0.1851 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Leishmania major hypothetical protein, conserved 0.0025 0.0391 0.1426
Brugia malayi jmjC domain containing protein 0.0038 0.0777 0.1119
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0832 0.3123
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0309 0.0309
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0116 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Brugia malayi ecdysteroid receptor 0.0022 0.0309 0.0445
Schistosoma mansoni coup transcription factor 0.0022 0.0309 0.0309
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000045326
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0065 0.1575 0.5431
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.2936 0.2936
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0945 0.0945
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0116 0.0345
Loa Loa (eye worm) hypothetical protein 0.0033 0.0628 0.0905
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0617 0.0617
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0415 0.152
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0116 0.0167
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0151 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0467 0.1718
Brugia malayi MH1 domain containing protein 0.0017 0.0151 0.0217
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0415 0.0598
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0309 0.0309
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0035 0.0684 0.7922
Brugia malayi TAR-binding protein 0.0068 0.167 0.2405
Loa Loa (eye worm) hypothetical protein 0.0042 0.0897 0.1292
Echinococcus multilocularis chromobox protein 2 0.0012 0.0017 0.0017
Loa Loa (eye worm) helicase 0.0012 0.0017 0.0024
Trypanosoma brucei DNA polymerase eta, putative 0.0093 0.2388 0.9101
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1735 0.2498
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0309 0.0445
Echinococcus multilocularis Chromo domain 0.0012 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0309 0.0309
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0309 0.0309
Trypanosoma cruzi DNA polymerase eta, putative 0.0093 0.2388 0.9101
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.2936 0.4228
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Leishmania major DNA polymerase eta, putative 0.0093 0.2388 0.9101
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0309 0.0309
Brugia malayi Bromodomain containing protein 0.0032 0.0582 0.0838
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0309 0.0309
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.011 0.2886 1
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1851 0.1851
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0309 0.0445
Schistosoma mansoni smad1 5 8 and 0.0017 0.0151 0.0151
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0617 0.0889
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.167 0.2405
Echinococcus multilocularis GPCR, family 2 0.0033 0.0617 0.0617
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0415 0.1388
Schistosoma mansoni DNA polymerase eta 0.0093 0.2388 0.2388
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.011 0.2886 1
Brugia malayi jmjC domain containing protein 0.0103 0.2693 0.3878
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.6943 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0415 0.1388
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0017 0.0024
Echinococcus granulosus smad 0.0017 0.0151 0.0151
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0325 0.1075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0309 0.0445
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1851 0.1851
Schistosoma mansoni hypothetical protein 0.0033 0.0617 0.0617
Echinococcus granulosus dna polymerase kappa 0.004 0.0832 0.0832
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0017 0.00000000045326
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0309 0.0445
Plasmodium falciparum phd finger protein, putative 0.0032 0.0582 0.1969
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0309 0.0445
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0309 0.0309
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0415 0.152
Schistosoma mansoni chromobox protein 0.0012 0.0017 0.0017
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0415 0.152
Brugia malayi glucose-6-phosphate dehydrogenase 0.0101 0.2622 0.3776
Brugia malayi Flap endonuclease-1 0.0026 0.0415 0.0598
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0101 0.2622 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0309 0.0445
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0017 0.00000000045326
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0617 0.0617
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Echinococcus granulosus Chromo domain 0.0012 0.0017 0.0017
Leishmania major DNA polymerase eta, putative 0.0065 0.1575 0.5978
Schistosoma mansoni chromobox protein 0.0075 0.1871 0.1871
Schistosoma mansoni flap endonuclease-1 0.0023 0.0342 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0309 0.0445
Echinococcus granulosus chromobox protein 1 0.0075 0.1871 0.1871
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0832 0.3123
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0062 0.0163
Echinococcus granulosus chromobox protein 2 0.0012 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0832 0.3123
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0832 0.2842
Brugia malayi MH2 domain containing protein 0.0017 0.0151 0.0217
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0017 0.00000000045326
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0017 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0309 0.0445
Loa Loa (eye worm) nuclear hormone receptor 0.01 0.259 0.373
Brugia malayi hypothetical protein 0.0016 0.013 0.0187
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0309 0.0445
Loa Loa (eye worm) hypothetical protein 0.0093 0.2388 0.3439
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0534 0.1802
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0033 0.0612 0.0612
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0116 0.0345
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0309 0.0309
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0116 0.0116
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0309 0.2995
Brugia malayi hypothetical protein 0.0012 0.0017 0.0024
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0024
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0415 0.0415
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0617 0.0889
Leishmania major DNA polymerase kappa, putative 0.004 0.0832 0.3123
Loa Loa (eye worm) hypothetical protein 0.0022 0.0309 0.0445
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0832 0.3123
Brugia malayi CHD4 protein 0.0012 0.0017 0.0024
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0832 0.0832
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0391 0.1303
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1871 0.6464
Brugia malayi SET domain containing protein 0.0013 0.0049 0.0071
Loa Loa (eye worm) hypothetical protein 0.0054 0.1245 0.1793
Brugia malayi MH2 domain containing protein 0.0017 0.0151 0.0217
Echinococcus granulosus tar DNA binding protein 0.0068 0.167 0.167
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0309 0.2995
Echinococcus multilocularis peregrin 0.0041 0.086 0.086
Schistosoma mansoni smad1 5 8 and 0.0017 0.0151 0.0151
Echinococcus multilocularis Smad4 0.0017 0.0151 0.0151
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0017 0.0017
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0062 0.0158

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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

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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