Detailed information for compound 1382749

Basic information

Technical information
  • TDR Targets ID: 1382749
  • Name: N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophen yl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyraz ole-3-carboxamide
  • MW: 444.316 | Formula: C17H13F5N6O3
  • H donors: 1 H acceptors: 5 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nc(c(c1)[N+](=O)[O-])C(=O)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F
  • InChi: 1S/C17H13F5N6O3/c1-6-15(23-17(29)16-9(28(30)31)5-26(3)25-16)7(2)27(24-6)4-8-10(18)12(20)14(22)13(21)11(8)19/h5H,4H2,1-3H3,(H,23,29)
  • InChiKey: GLSIEWLSEFVNLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide
  • N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-1-methyl-4-nitro-3-pyrazolecarboxamide
  • N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide
  • MLS000324568
  • N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
  • SMR000160097
  • AK-968/41923234

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor 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
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0236 0.0716 0.0716
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0261 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0058 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0553 0.1721 0.1721
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0016 0.0016
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0151 0.0151
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0032 0.022
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.0871 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0012 0.0004 0.0004
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0012 0.0004 0.0004
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0026 0.0175
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1081 0.3402 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0026 0.0026
Trypanosoma brucei C-8 sterol isomerase, putative 0.1081 0.3402 1
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.0871 1
Onchocerca volvulus 0.0058 0.015 0.015
Giardia lamblia PHD finger protein 15 0.0028 0.0055 0.0461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0083 0.0784
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0016 0.0405
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.0407 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.0871 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0338 0.822
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0083 0.698
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0083 1
Leishmania major C-8 sterol isomerase-like protein 0.1081 0.3402 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0026 0.0175
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0001 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0112 0.2454
Plasmodium falciparum thioredoxin reductase 0.0046 0.0112 1
Echinococcus multilocularis glutamate receptor 2 0.0033 0.007 0.007
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0055 0.0055
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Echinococcus multilocularis glutamate receptor 2 0.0033 0.007 0.007
Brugia malayi Pre-SET motif family protein 0.0407 0.1258 0.1258
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 0.0731 0.0731
Trypanosoma brucei unspecified product 0.0013 0.0007 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0016 0.0368
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0016 0.0103
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0012 0.0004 0.0004
Echinococcus granulosus glutamate NMDA receptor subunit 0.0033 0.007 0.007
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0016 0.0016
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0026 0.0074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0001 0.0001
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0016 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0012 0.0004 0.0004
Brugia malayi glutathione reductase 0.0046 0.0112 0.0112
Echinococcus granulosus glutamate receptor 2 0.0033 0.007 0.007
Echinococcus multilocularis vesicular acetylcholine transporter 0.3156 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.0074
Trypanosoma brucei trypanothione reductase 0.0046 0.0112 0.0326
Trypanosoma brucei unspecified product 0.0013 0.0007 0.0018
Schistosoma mansoni hypothetical protein 0.0048 0.0118 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0007 0.0018
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Leishmania major trypanothione reductase 0.0046 0.0112 0.0326
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.0716 0.0716
Onchocerca volvulus Alhambra homolog 0.0028 0.0055 0.0055
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1081 0.3402 0.3402
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0033 0.007 0.007
Echinococcus granulosus dna polymerase kappa 0.0019 0.0026 0.0026
Plasmodium falciparum phd finger protein, putative 0.0028 0.0055 0.4101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Echinococcus granulosus dna polymerase eta 0.0019 0.0026 0.0026
Schistosoma mansoni jumonji domain containing protein 0.0074 0.02 0.02
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0261 0.0261
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0055 0.3192
Loa Loa (eye worm) hypothetical protein 0.0017 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0012 0.0004 0.0004
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0074 0.0074
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0083 0.0241
Schistosoma mansoni glutamate receptor NMDA 0.0033 0.007 0.007
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0083 0.0083
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0026 0.0026
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0026 0.0264
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0074 0.0074
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.007 0.007
Schistosoma mansoni ap endonuclease 0.0037 0.0083 0.0083
Schistosoma mansoni glutamate receptor kainate 0.0033 0.007 0.007
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0083 0.057
Loa Loa (eye worm) RecQ helicase 0.0021 0.0032 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0007 0.0018
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0012 0.0004 0.0004
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0026 0.0264
Echinococcus granulosus histone lysine methyltransferase setb 0.0058 0.015 0.015
Schistosoma mansoni glutamate receptor kainate 0.0033 0.007 0.007
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0032 0.0032
Brugia malayi Pre-SET motif family protein 0.0058 0.015 0.015
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.0716 0.0716
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.03 0.7264
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0033 0.007 0.007
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0018 0.0018
Trichomonas vaginalis set domain proteins, putative 0.0463 0.1436 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0083 0.0241
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0338 0.822
Plasmodium falciparum glutathione reductase 0.0046 0.0112 1
Echinococcus granulosus vesicular acetylcholine transporter 0.3156 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0016 0.0043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0407 0.1258 0.1258
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0026 0.0288
Brugia malayi Glutamate receptor 2 precursor 0.0033 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.1081 0.3402 0.3402
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0055 0.3219
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0118 0.0118
Echinococcus multilocularis peregrin 0.0028 0.0055 0.0055
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0016 0.0043
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0083 0.0241
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0026 0.0074
Plasmodium vivax SET domain protein, putative 0.0058 0.015 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0083 0.0784
Plasmodium vivax glutathione reductase, putative 0.0046 0.0112 0.7254
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0032 0.0032
Echinococcus granulosus glutamate receptor subunit protein glur 0.0012 0.0004 0.0004
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0028 0.0055 0.0055
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0083 0.0083
Brugia malayi follicle stimulating hormone receptor 0.0241 0.0731 0.0731
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.007 0.007
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0016 0.0043
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0112 0.7254
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0026 0.0026
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.007 0.007
Brugia malayi jmjC domain containing protein 0.0093 0.0261 0.0261
Brugia malayi Bromodomain containing protein 0.0028 0.0055 0.0055
Echinococcus multilocularis dna polymerase eta 0.0019 0.0026 0.0026
Brugia malayi Glutamate receptor 1 precursor 0.0033 0.007 0.007
Schistosoma mansoni glutamate receptor kainate 0.0033 0.007 0.007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.015 0.015
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0055 0.3219
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0028 0.0055 0.0055
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0083 0.5174
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.03 0.7264
Echinococcus multilocularis geminin 0.0335 0.103 0.103
Schistosoma mansoni hypothetical protein 0.0335 0.103 0.103
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0016 0.0016
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.007 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0083 0.0083
Leishmania major DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.0407 1
Schistosoma mansoni glutamate receptor AMPA 0.0033 0.007 0.007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.015 0.015
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0002 0.0002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0338 0.3494
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0055 0.0055
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0058 0.015 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0026 0.0026
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0112 0.0112
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Giardia lamblia DINP protein human, muc B family 0.0019 0.0026 0.0121
Echinococcus multilocularis glutamate receptor 2 0.0021 0.0031 0.0031
Onchocerca volvulus 0.0463 0.1436 0.1436
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0083 0.1713
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.0407 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0033 0.007 0.007
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0112 0.0326
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Schistosoma mansoni DNA polymerase eta 0.0019 0.0026 0.0026
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0026 0.0026
Loa Loa (eye worm) glutamate receptor 2 0.0033 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0335 0.103 0.103
Trypanosoma brucei unspecified product 0.0019 0.0026 0.0074
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0024 0.0893
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0016 0.0043
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.03 0.7264
Schistosoma mansoni glutamate receptor AMPA 0.0033 0.007 0.007
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Echinococcus granulosus jumonji domain containing protein 0.004 0.009 0.009
Brugia malayi jmjC domain containing protein 0.0034 0.0074 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.015 0.015
Brugia malayi hypothetical protein 0.0236 0.0716 0.0716
Brugia malayi PHD-finger family protein 0.0028 0.0055 0.0055
Schistosoma mansoni vesicular acetylcholine transporter 0.3156 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.0871 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0032 0.0032
Echinococcus granulosus nmda type glutamate receptor 0.0012 0.0004 0.0004
Leishmania major DNA polymerase eta, putative 0.0019 0.0026 0.0074
Toxoplasma gondii exonuclease III APE 0.0037 0.0083 0.5193
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Loa Loa (eye worm) glutathione reductase 0.0046 0.0112 0.0112
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0143 0.0143
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0083 0.0241
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0083 0.057
Mycobacterium tuberculosis Probable reductase 0.0106 0.03 0.7264
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0074 0.0074
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0055 0.0055
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0012 0.0004 0.0004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0083 0.0941
Echinococcus granulosus peregrin 0.0028 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0058 0.015 0.015
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0083 0.1713
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0032 0.022
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0074 0.0074
Echinococcus multilocularis nmda type glutamate receptor 0.0012 0.0004 0.0004
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0016 0.0103
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0058 0.015 0.015
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.007 0.007
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.0074
Echinococcus multilocularis jumonji domain containing protein 0.004 0.009 0.009
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.03 0.7264
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0016 0.0368
Schistosoma mansoni glutamate receptor NMDA 0.0033 0.007 0.007
Echinococcus granulosus geminin 0.0335 0.103 0.103
Loa Loa (eye worm) hypothetical protein 0.0049 0.012 0.012
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0026 0.0264
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0026 0.0264
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0074 0.0074
Loa Loa (eye worm) glutamate receptor 1 0.0033 0.007 0.007
Onchocerca volvulus 0.0048 0.0118 0.0118
Echinococcus granulosus glutamate receptor 2 0.0021 0.0031 0.0031
Toxoplasma gondii thioredoxin reductase 0.0046 0.0112 0.7265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0026 0.0074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0083 0.0083
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0338 0.822
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.0871 0.6062
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0026 0.0074
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0026 0.0026
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0016 0.0016
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.03 0.7264
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0058 0.015 0.015
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.3156 1 1
Echinococcus multilocularis NMDA receptor 0.0012 0.0004 0.0004
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0016 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0074
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0016 0.0043
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0112 0.0112
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0016 0.0043
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.007 0.007
Schistosoma mansoni ATP-binding cassette transporter 0.0033 0.007 0.007
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0016 0.0043
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0016 0.0405
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0007 0.0018
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.3156 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0016 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0026
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0055 0.0055
Brugia malayi Thioredoxin reductase 0.0046 0.0112 0.0112
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0012 0.0004 0.0004
Schistosoma mansoni ap endonuclease 0.0037 0.0083 0.0083
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0016 0.0043
Schistosoma mansoni survival motor neuron protein 0.0048 0.0118 0.0118

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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