Detailed information for compound 1330775

Basic information

Technical information
  • TDR Targets ID: 1330775
  • Name: acetic acid; 5-[3-(4-methylphenoxy)propylsulf anyl]-2H-1,2,4-triazol-3-amine
  • MW: 324.399 | Formula: C14H20N4O3S
  • H donors: 3 H acceptors: 4 LogP: 2.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)OCCCSc1n[nH]c(n1)N.CC(=O)O
  • InChi: 1S/C12H16N4OS.C2H4O2/c1-9-3-5-10(6-4-9)17-7-2-8-18-12-14-11(13)15-16-12;1-2(3)4/h3-6H,2,7-8H2,1H3,(H3,13,14,15,16);1H3,(H,3,4)
  • InChiKey: RJXFGUUFPLAYJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid; 5-[3-(4-methylphenoxy)propylthio]-2H-1,2,4-triazol-3-amine
  • acetic acid; [5-[3-(4-methylphenoxy)propylthio]-2H-1,2,4-triazol-3-yl]amine
  • ethanoic acid; 5-[3-(4-methylphenoxy)propylsulfanyl]-2H-1,2,4-triazol-3-amine
  • 5-{[3-(4-methylphenoxy)propyl]thio}-4H-1,2,4-triazol-3-amine acetate
  • MLS000674130
  • SMR000297030

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin 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
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei thioredoxin reductase, putative 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Thioredoxin reductase 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 465 aa 27.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
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 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus peptidase Clp S14 family 0.0203 0.1597 0.5857
Plasmodium falciparum ataxin-2 like protein, putative 0.0185 0.1424 0.505
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1047 0.5997
Loa Loa (eye worm) hypothetical protein 0.0401 0.3456 0.3456
Echinococcus multilocularis GPCR, family 2 0.0127 0.0879 0.3223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0205 0.0752
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2727 1
Brugia malayi Probable ClpP-like protease 0.031 0.2602 0.2602
Loa Loa (eye worm) RNA binding protein 0.0324 0.2727 0.2727
Echinococcus multilocularis mothers against decapentaplegic 5 0.0075 0.0389 0.1425
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1047 0.1865
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.031 0.2602 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.031 0.2602 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 0.5
Brugia malayi hypothetical protein 0.0119 0.0808 0.0808
Loa Loa (eye worm) latrophilin receptor protein 2 0.0127 0.0879 0.0879
Schistosoma mansoni smad1 5 8 and 0.0075 0.0389 0.1425
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0223 0.0223
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0033 0 0.5
Brugia malayi MH1 domain containing protein 0.0075 0.0389 0.0389
Brugia malayi Thioredoxin reductase 0.0057 0.0223 0.0223
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.091 0.5003
Trypanosoma cruzi PAB1-binding protein , putative 0.0185 0.1424 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.091 0.115
Brugia malayi glutathione reductase 0.0057 0.0223 0.0223
Plasmodium falciparum ataxin-2 like protein, putative 0.0185 0.1424 0.505
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.091 0.5003
Schistosoma mansoni smad 0.0075 0.0389 0.1425
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2727 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2263 0.2263
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0401 0.3456 0.3456
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 1
Brugia malayi RNA recognition motif domain containing protein 0.0324 0.2727 0.2727
Loa Loa (eye worm) glutaminase 2 0.0273 0.2256 0.2256
Echinococcus multilocularis Smad4 0.0075 0.0389 0.1425
Entamoeba histolytica hypothetical protein 0.0149 0.1082 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0401 0.3456 0.3456
Loa Loa (eye worm) glutathione reductase 0.0057 0.0223 0.0223
Schistosoma mansoni transcription factor LCR-F1 0.0149 0.1082 0.3968
Echinococcus granulosus TGF beta signal transducer SmadC 0.0075 0.0389 0.1425
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0127 0.0879 0.3223
Toxoplasma gondii LsmAD domain-containing protein 0.0185 0.1424 0.505
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2727 1
Schistosoma mansoni glutaminase 0.0273 0.2256 0.8273
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0075 0.0389 0.1425
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.031 0.2602 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0107 0.069 0.1966
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0149 0.1082 0.3968
Schistosoma mansoni hypothetical protein 0.0127 0.0879 0.3223
Trypanosoma brucei PAB1-binding protein , putative 0.0185 0.1424 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1047 0.5997
Entamoeba histolytica hypothetical protein 0.0149 0.1082 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0205 0.0752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0205 0.0752
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0205 0.0205
Echinococcus granulosus smad 0.0075 0.0389 0.1425
Schistosoma mansoni Smad4 0.0075 0.0389 0.1425
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.031 0.2602 0.9541
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0223 0.0816
Loa Loa (eye worm) glutaminase 0.0273 0.2256 0.2256
Loa Loa (eye worm) MH2 domain-containing protein 0.0075 0.0389 0.0389
Loa Loa (eye worm) MH1 domain-containing protein 0.0075 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0274 0.2263 0.8301
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2727 1
Loa Loa (eye worm) transcription factor SMAD2 0.1097 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0075 0.0389 0.1425
Brugia malayi Smad1 0.0075 0.0389 0.0389
Echinococcus multilocularis smad 0.0075 0.0389 0.1425
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0205 0.0205
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0205 0.0752
Loa Loa (eye worm) Smad1 0.0075 0.0389 0.0389
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0203 0.1597 0.4744
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0075 0.0389 0.1425
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0203 0.1597 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0127 0.0879 0.3223
Loa Loa (eye worm) MH2 domain-containing protein 0.1097 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0185 0.1424 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 1
Echinococcus granulosus tar DNA binding protein 0.0324 0.2727 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.1424 0.1424
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.091 0.5003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0127 0.0879 0.3223
Echinococcus multilocularis tar DNA binding protein 0.0324 0.2727 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0205 0.0752
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0107 0.069 0.1966
Schistosoma mansoni tar DNA-binding protein 0.0324 0.2727 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0205 0.1609 0.5902
Entamoeba histolytica hypothetical protein 0.0149 0.1082 0.5
Brugia malayi MH2 domain containing protein 0.0075 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0205 0.1609 0.5902
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0203 0.1597 1
Schistosoma mansoni peptidase Clp (S14 family) 0.031 0.2602 0.9541
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.031 0.2602 0.9541
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1047 0.5997
Brugia malayi TAR-binding protein 0.0324 0.2727 0.2727
Brugia malayi hypothetical protein 0.0149 0.1082 0.1082
Brugia malayi latrophilin 2 splice variant baaae 0.0274 0.2263 0.2263
Leishmania major hypothetical protein, conserved 0.0185 0.1424 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0324 0.2727 0.2727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0205 0.0752
Schistosoma mansoni smad1 5 8 and 0.0075 0.0389 0.1425
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.031 0.2602 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0127 0.0879 0.3223
Brugia malayi MH1 domain containing protein 0.0075 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0127 0.0879 0.3223
Brugia malayi RNA binding protein 0.0324 0.2727 0.2727
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0401 0.3456 0.3456
Echinococcus multilocularis geminin 0.0205 0.1609 0.5902
Brugia malayi glutaminase DH11.1 0.0273 0.2256 0.2256
Entamoeba histolytica hypothetical protein 0.0149 0.1082 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.0879 0.0879
Schistosoma mansoni hypothetical protein 0.0149 0.1082 0.3968
Echinococcus granulosus geminin 0.0205 0.1609 0.5902
Toxoplasma gondii hypothetical protein 0.0107 0.069 0.1966
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.091 0.5003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0127 0.0879 0.0879
Brugia malayi MH1 domain containing protein 0.0041 0.0075 0.0075
Echinococcus multilocularis peptidase Clp (S14 family) 0.0203 0.1597 0.5857
Brugia malayi MH2 domain containing protein 0.0075 0.0389 0.0389
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.031 0.2602 0.5
Echinococcus granulosus GPCR family 2 0.0127 0.0879 0.3223
Loa Loa (eye worm) TAR-binding protein 0.0324 0.2727 0.2727
Brugia malayi Latrophilin receptor protein 2 0.0127 0.0879 0.0879
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0149 0.1082 0.3968
Echinococcus granulosus Smad4 0.0075 0.0389 0.1425
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.091 0.5003
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0083 0.0465 0.1707
Brugia malayi MH1 domain containing protein 0.0041 0.0075 0.0075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0205 0.0752
Schistosoma mansoni hypothetical protein 0.0083 0.0465 0.1707
Schistosoma mansoni smad1 5 8 and 0.0075 0.0389 0.1425
Plasmodium vivax ataxin-2 like protein, putative 0.0185 0.1424 0.505
Brugia malayi hypothetical protein 0.0185 0.1424 0.1424
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0083 0.0465 0.1707
Schistosoma mansoni hypothetical protein 0.0127 0.0879 0.3223
Loa Loa (eye worm) hypothetical protein 0.031 0.2602 0.2602
Schistosoma mansoni hypothetical protein 0.0127 0.0879 0.3223
Mycobacterium tuberculosis Probable reductase 0.013 0.091 0.5003
Loa Loa (eye worm) nuclear factor I 0.0041 0.0075 0.0075
Trichomonas vaginalis glutaminase, putative 0.0273 0.2256 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0223 0.0816

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.5131 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) 14.1254 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) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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