Detailed information for compound 1348398

Basic information

Technical information
  • TDR Targets ID: 1348398
  • Name: 1-ethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)met hylsulfanyl]benzimidazole
  • MW: 336.411 | Formula: C18H16N4OS
  • H donors: 0 H acceptors: 3 LogP: 3.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCc2onc(n2)c2ccccc2)nc2c1cccc2
  • InChi: 1S/C18H16N4OS/c1-2-22-15-11-7-6-10-14(15)19-18(22)24-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
  • InChiKey: JCHHKUIOTDVMQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-ethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzimidazole
  • IDI1_003173
  • ZINC00094132
  • ChemDiv2_004458
  • EU-0014429
  • MLS000114450
  • SMR000091836

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii glutathione reductase 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 falciparum glutathione 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
Neospora caninum Glutathione reductase, related 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 guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis trypanothione reductase 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi glutathione reductase, 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
Cryptosporidium hominis thioredoxin reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense trypanothione 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major trypanothione 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani trypanothione 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax glutathione reductase, putative 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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei thioredoxin 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis thioredoxin glutathione reductase 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania donovani 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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0042 0.1211 0.1211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2048 0.2048
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0041 0.1165 0.3446
Brugia malayi TAR-binding protein 0.0076 0.338 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Onchocerca volvulus 0.0042 0.1211 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Echinococcus granulosus glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Plasmodium vivax glutathione reductase, putative 0.0057 0.2165 0.5
Leishmania major trypanothione reductase 0.0057 0.2165 0.5
Onchocerca volvulus 0.0042 0.1211 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2048 0.6058
Echinococcus granulosus nAChR subunit 0.0042 0.1211 0.3583
Loa Loa (eye worm) ACC-1 protein 0.0042 0.1211 0.3583
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Onchocerca volvulus 0.0042 0.1211 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2359 0.6978
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1165 0.3446
Loa Loa (eye worm) ACC-1 protein 0.0042 0.1211 0.3583
Onchocerca volvulus 0.0042 0.1211 1
Loa Loa (eye worm) LGC-31 protein 0.0042 0.1211 0.3583
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0042 0.1211 0.1211
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Brugia malayi RNA binding protein 0.0076 0.338 1
Plasmodium falciparum glutathione reductase 0.0057 0.2165 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0042 0.1211 0.3583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2048 0.2048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2048 0.2048
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.675 0.8342
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7661 1
Echinococcus multilocularis glycine receptor subunit beta 0.0042 0.1211 0.3583
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Loa Loa (eye worm) glutathione reductase 0.0057 0.2165 0.6404
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0042 0.1211 0.3583
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0042 0.1211 0.3583
Loa Loa (eye worm) TAR-binding protein 0.0076 0.338 1
Brugia malayi glutathione reductase 0.0057 0.2165 0.6404
Onchocerca volvulus 0.0042 0.1211 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Plasmodium falciparum thioredoxin reductase 0.0057 0.2165 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.675 0.8342
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0042 0.1211 0.3583
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2165 0.6404
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2359 0.6978
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0042 0.1211 0.3583
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2359 0.6978
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Schistosoma mansoni tar DNA-binding protein 0.0076 0.338 0.338
Brugia malayi Cation transporter family protein 0.0042 0.1211 0.3583
Echinococcus multilocularis tar DNA binding protein 0.0076 0.338 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Brugia malayi Thioredoxin reductase 0.0057 0.2165 0.6404
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Brugia malayi Cation transporter family protein 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0042 0.1211 0.3583
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2048 0.6058
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2048 0.6058
Trypanosoma brucei trypanothione reductase 0.0057 0.2165 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0042 0.1211 0.1211
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0042 0.1211 0.3583
Mycobacterium tuberculosis Probable reductase 0.013 0.675 0.8342
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2165 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0042 0.1211 0.3583
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0042 0.1211 0.1211
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2165 0.6404
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0042 0.1211 0.3583
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0042 0.1211 0.3583
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.675 0.8342
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2048 0.6058
Schistosoma mansoni nAChR subunit 0.0042 0.1211 0.1211
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0042 0.1211 0.3583
Onchocerca volvulus 0.0042 0.1211 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.338 0.338
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2048 0.6058
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0042 0.1211 0.3583
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2165 0.6404
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0042 0.1211 0.3583
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0042 0.1211 0.3583
Schistosoma mansoni tar DNA-binding protein 0.0076 0.338 0.338
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.675 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0076 0.338 0.338
Echinococcus multilocularis nAChR subunit 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0042 0.1211 0.3583
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0042 0.1211 0.3583
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0042 0.1211 0.3583
Echinococcus multilocularis glycine receptor subunit beta 0.0042 0.1211 0.3583
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) RNA binding protein 0.0076 0.338 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Onchocerca volvulus Putative nachr subunit 0.0042 0.1211 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0042 0.1211 0.3583
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7661 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0042 0.1211 0.3583
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0042 0.1211 0.1211
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0042 0.1211 0.3583
Echinococcus granulosus tar DNA binding protein 0.0076 0.338 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Schistosoma mansoni hypothetical protein 0.0041 0.1165 0.1165
Toxoplasma gondii thioredoxin reductase 0.0057 0.2165 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.2359 0.6978
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0042 0.1211 0.3583
Schistosoma mansoni tar DNA-binding protein 0.0076 0.338 0.338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2048 0.6058
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0042 0.1211 0.3583
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.675 0.8342
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.338 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2165 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.338 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0042 0.1211 0.3583
Echinococcus granulosus glycine receptor subunit beta 0.0042 0.1211 0.3583
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0042 0.1211 0.3583
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0042 0.1211 0.3583
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7661 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0042 0.1211 0.3583
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0042 0.1211 0.3583
Brugia malayi excitatory GABA receptor EXP-1A 0.0042 0.1211 0.3583
Loa Loa (eye worm) hypothetical protein 0.0042 0.1211 0.3583
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7661 1
Brugia malayi Cation transporter family protein 0.0042 0.1211 0.3583
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0042 0.1211 0.1211
Echinococcus granulosus glycine receptor subunit beta 0.0042 0.1211 0.3583

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 331 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (functional) 8.9125 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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.
 
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.