Detailed information for compound 1373943

Basic information

Technical information
  • TDR Targets ID: 1373943
  • Name: 2,4-dichloro-N-[(E)-1-[1,3-di(phenyl)pyrazol- 4-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]be nzamide
  • MW: 547.432 | Formula: C29H24Cl2N4O3
  • H donors: 1 H acceptors: 3 LogP: 5.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)N/C(=C/c1cn(nc1c1ccccc1)c1ccccc1)/C(=O)N1CCOCC1
  • InChi: 1S/C29H24Cl2N4O3/c30-22-11-12-24(25(31)18-22)28(36)32-26(29(37)34-13-15-38-16-14-34)17-21-19-35(23-9-5-2-6-10-23)33-27(21)20-7-3-1-4-8-20/h1-12,17-19H,13-16H2,(H,32,36)/b26-17+
  • InChiKey: OTLKBEYBTAYTDE-YZSQISJMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,4-dichloro-N-[(E)-2-[1,3-di(phenyl)pyrazol-4-yl]-1-(morpholine-4-carbonyl)vinyl]benzamide
  • 2,4-dichloro-N-[(E)-2-[1,3-di(phenyl)-4-pyrazolyl]-1-(morpholino-oxomethyl)vinyl]benzamide
  • 2,4-dichloro-N-[(E)-1-[1,3-di(phenyl)pyrazol-4-yl]-3-morpholin-4-yl-3-oxo-prop-1-en-2-yl]benzamide
  • SMR000217350
  • STOCK1S-13818
  • MLS000590413

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani trypanothione reductase 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase 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 donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) thioredoxin 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
Theileria parva thioredoxin 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii thioredoxin reductase 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major trypanothione 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
Babesia bovis thiodoxin 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum thioredoxin reductase 1 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 congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
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 483 aa 23.0 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania major 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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, 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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2787 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0463 0.0404
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.007 0.0422 0.0368
Loa Loa (eye worm) glutamate receptor 0.0741 0.8054 0.8054
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.007 0.0422 0.0368
Brugia malayi beta-lactamase family protein 0.0043 0.0124 0.0085
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.019 0.1789 0.1789
Plasmodium falciparum glutathione reductase 0.0057 0.0279 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.007 0.0422 0.0458
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.007 0.0422 0.0368
Echinococcus multilocularis glutamate receptor 2 0.007 0.0422 0.0368
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.007 0.0422 0.0368
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0463 0.1274
Schistosoma mansoni tyrosine kinase 0.007 0.0422 0.0359
Onchocerca volvulus Poor gastrulation protein homolog 0.012 0.0997 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0124 0.0085
Echinococcus granulosus glutamate receptor 2 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.012 0.0997 0.0997
Echinococcus granulosus atrial natriuretic peptide receptor 0.007 0.0422 0.0368
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.0422 0.0422
Brugia malayi beta-lactamase family protein 0.0043 0.0124 0.0085
Brugia malayi glutathione reductase 0.0057 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Leishmania major extracellular receptor, putative 0.007 0.0422 0.8786
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.019 0.1789 0.1789
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0463 0.0409
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Echinococcus granulosus receptor type guanylyl cyclase 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0279 0.5195
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.0422 0.0422
Echinococcus granulosus metabotropic glutamate receptor 2 0.0621 0.6686 0.6668
Echinococcus granulosus GPCR family 3 C terminal 0.012 0.0997 0.0946
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0124 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1275 0.4324
Echinococcus granulosus nmda type glutamate receptor 0.007 0.0422 0.0368
Brugia malayi Thioredoxin reductase 0.0057 0.0279 0.0279
Echinococcus granulosus glutamate receptor 2 0.007 0.0422 0.0368
Brugia malayi metabotropic GABA-B receptor subtype 2 0.012 0.0997 0.1177
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0843 0.9208 1
Onchocerca volvulus 0.007 0.0422 0.3413
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1275 0.4324
Brugia malayi metabotropic glutamate receptor type 2 0.0361 0.3736 0.4601
Plasmodium vivax glutathione reductase, putative 0.0057 0.0279 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0279 0.0224
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0124 0.0124
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0463 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0056 0.0056
Trypanosoma cruzi extracellular receptor, putative 0.007 0.0422 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.007 0.0422 0.3413
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.111 0.8565
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1275 1
Schistosoma mansoni glutamate receptor NMDA 0.007 0.0422 0.0359
Schistosoma mansoni protein kinase 0.007 0.0422 0.0359
Echinococcus multilocularis atrial natriuretic peptide receptor 0.007 0.0422 0.0368
Echinococcus multilocularis GPCR, family 3, C terminal 0.012 0.0997 0.0946
Plasmodium falciparum thioredoxin reductase 0.0057 0.0279 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0463 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0913 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0463 0.0404
Echinococcus granulosus tyrosine kinase 0.007 0.0422 0.0368
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.111 0.3704
Trypanosoma brucei trypanothione reductase 0.0057 0.0279 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.012 0.0997 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1275 0.4324
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0279 0.0581
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0463 0.0409
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0124 0.0032
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0124 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0463 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.111 0.3704
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.111 0.3704
Brugia malayi Receptor family ligand binding region containing protein 0.019 0.1789 0.2167
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.007 0.0422 0.0368
Schistosoma mansoni tyrosine kinase 0.007 0.0422 0.0359
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.007 0.0422 0.0422
Echinococcus multilocularis tyrosine kinase 0.007 0.0422 0.0368
Loa Loa (eye worm) RGC/RGC protein kinase 0.007 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0124 0.0068
Loa Loa (eye worm) beta-lactamase 0.0043 0.0124 0.0124
Echinococcus multilocularis receptor type guanylyl cyclase 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Onchocerca volvulus 0.007 0.0422 0.3413
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0124 0.0068
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.111 0.3704
Brugia malayi Receptor family ligand binding region containing protein 0.007 0.0422 0.0458
Loa Loa (eye worm) hypothetical protein 0.0913 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.007 0.0422 0.0368
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0279 0.0224
Entamoeba histolytica hypothetical protein 0.007 0.0422 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0741 0.8054 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0279 0.4564
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0463 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0672 0.7262 0.901
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Brugia malayi beta-lactamase 0.0043 0.0124 0.0085
Brugia malayi Guanylyl cyclase protein 23 0.007 0.0422 0.0458
Brugia malayi hypothetical protein 0.007 0.0422 0.0458
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0279 0.0279
Leishmania major trypanothione reductase 0.0057 0.0279 0.4564
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0124 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0124 1
Schistosoma mansoni metabotropic glutamate receptor 0.0621 0.6686 0.7233
Trichomonas vaginalis esterase, putative 0.0043 0.0124 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0279 0.0279
Mycobacterium tuberculosis Probable reductase 0.013 0.111 0.3704
Loa Loa (eye worm) hypothetical protein 0.019 0.1789 0.1789
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Echinococcus multilocularis glutamate receptor 2 0.007 0.0422 0.0368
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0124 0.0032
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0279 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0621 0.6686 0.6668
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.111 0.3704
Loa Loa (eye worm) glutamate receptor 0.0292 0.2944 0.2944
Schistosoma mansoni hypothetical protein 0.012 0.0997 0.099
Loa Loa (eye worm) hypothetical protein 0.0043 0.0124 0.0124
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0463 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.007 0.0422 0.0368
Loa Loa (eye worm) hypothetical protein 0.007 0.0422 0.0422
Schistosoma mansoni metabotropic glutamate receptor 0.0361 0.3736 0.3995
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0124 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 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) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.5733 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.