Detailed information for compound 896758

Basic information

Technical information
  • TDR Targets ID: 896758
  • Name: 3-(5,6-dichloro-2-methylbenzimidazol-1-yl)pro pan-1-ol
  • MW: 259.132 | Formula: C11H12Cl2N2O
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2c(n1CCCO)cc(c(c2)Cl)Cl
  • InChi: 1S/C11H12Cl2N2O/c1-7-14-10-5-8(12)9(13)6-11(10)15(7)3-2-4-16/h5-6,16H,2-4H2,1H3
  • InChiKey: KYCISTYRQNEVDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(5,6-dichloro-2-methyl-benzimidazol-1-yl)propan-1-ol
  • 3-(5,6-dichloro-2-methyl-1-benzimidazolyl)propan-1-ol
  • 113060-13-2
  • 1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-
  • 5,6-Dichloro-1-(3-hydroxypropyl)-2-methylbenzimidazole
  • ZINC02266993
  • 3-(5,6-Dichloro-2-methyl-benzoimidazol-1-yl)-propan-1-ol
  • MLS001030129
  • SMR000425643
  • STOCK1S-42555

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Loa Loa (eye worm) glutathione reductase 0.0057 0.0094 0.0094
Leishmania major fatty acid desaturase, putative 0.0315 0.0743 0.0743
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0315 0.0743 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0007 0.0007
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0007 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0315 0.0743 0.0743
Brugia malayi Fatty acid desaturase family protein 0.0315 0.0743 0.0807
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0315 0.0743 0.0743
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0007 0.0099
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0007 1
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0315 0.0743 1
Trypanosoma cruzi fatty acid desaturase, putative 0.3678 0.9207 0.9207
Brugia malayi Fatty acid desaturase family protein 0.0315 0.0743 0.0807
Plasmodium vivax glutathione reductase, putative 0.0057 0.0094 0.0102
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0007 1
Plasmodium falciparum stearoyl-CoA desaturase 0.3678 0.9207 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0315 0.0743 1
Brugia malayi glutathione reductase 0.0057 0.0094 0.0102
Leishmania major delta-4 fatty acid desaturase 0.0315 0.0743 0.0743
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0007 0.0008
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0094 0.0094
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Onchocerca volvulus 0.3993 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0007 0.0099
Mycobacterium tuberculosis Probable conserved membrane protein 0.0315 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0315 0.0743 0.08
Leishmania major delta-12 fatty acid desaturase 0.0315 0.0743 0.0743
Leishmania major trypanothione reductase 0.0057 0.0094 0.0094
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0315 0.4234
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0094 0.0094
Mycobacterium ulcerans electron transfer protein FdxB 0.0315 0.0743 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0007
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0 0.5
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0315 0.0743 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0278 0.3742
Trypanosoma brucei fatty acid desaturase, putative 0.3993 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0007 1
Leishmania major delta-6 fatty acid desaturase 0.0315 0.0743 0.0743
Loa Loa (eye worm) fatty acid desaturase 0.0315 0.0743 0.08
Toxoplasma gondii exonuclease III APE 0.0023 0.0007 0.0099
Brugia malayi Delta5 fatty acid desaturase 0.0315 0.0743 0.0807
Mycobacterium ulcerans hypothetical protein 0.0315 0.0743 1
Leishmania major fatty acid desaturase, putative 0.0315 0.0743 0.0743
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0315 0.0743 0.0743
Brugia malayi acyl-CoA desaturase 0.3678 0.9207 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0094 0.0102
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0315 0.0743 1
Trypanosoma cruzi fatty acid desaturase, putative 0.3678 0.9207 0.9207
Onchocerca volvulus 0.3993 1 1
Leishmania major fatty-acid desaturase, putative 0.3993 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0278 0.3742
Loa Loa (eye worm) FAT-3 protein 0.0315 0.0743 0.08
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0278 0.3742
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0007 0.0007
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0007 0.0008
Trypanosoma brucei delta-4 fatty acid desaturase 0.0315 0.0743 0.0743
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0007
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0007 0.0099
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0315 0.0743 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0315 0.0743 1
Schistosoma mansoni ap endonuclease 0.0023 0.0007 0.0099
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0315 0.0743 1
Plasmodium falciparum glutathione reductase 0.0057 0.0094 0.0102
Brugia malayi Thioredoxin reductase 0.0057 0.0094 0.0102
Schistosoma mansoni ap endonuclease 0.0023 0.0007 0.0099
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0094 0.1264
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0315 0.4234
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0315 0.0743 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0094 0.0102
Mycobacterium ulcerans hypothetical protein 0.0315 0.0743 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0007 0.5
Leishmania major delta-5 fatty acid desaturase 0.0315 0.0743 0.0743
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0315 0.0743 0.0743
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0007 0.0008
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0094 0.1264
Toxoplasma gondii thioredoxin reductase 0.0057 0.0094 0.1264
Echinococcus granulosus Fatty acid desaturase type 1 0.0315 0.0743 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0315 0.0743 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0315 0.0743 0.0743
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0315 1
Loa Loa (eye worm) fatty acid desaturase 0.0315 0.0743 0.08
Trypanosoma cruzi fatty acid desaturase, putative 0.3993 1 1
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0315 0.0743 0.0743
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0315 0.0743 1
Loa Loa (eye worm) acyl-CoA desaturase 0.3678 0.9207 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0094 0.0094
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0315 0.0743 0.0743
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0278 0.3742
Mycobacterium tuberculosis Probable reductase 0.013 0.0278 0.3742
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0278 0.3742
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0315 0.4234
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0007 0.0099
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0315 0.0743 0.0743
Schistosoma mansoni fatty acid desaturase 0.0315 0.0743 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0094 0.1264
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.3678 0.9207 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0007 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 25.9185 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.