Detailed information for compound 1255219

Basic information

Technical information
  • TDR Targets ID: 1255219
  • Name: 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfa nylmethyl]benzamide
  • MW: 307.798 | Formula: C14H14ClN3OS
  • H donors: 1 H acceptors: 3 LogP: 3.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NCSc1nc(C)cc(n1)C
  • InChi: 1S/C14H14ClN3OS/c1-9-7-10(2)18-14(17-9)20-8-16-13(19)11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,19)
  • InChiKey: HTHCOFLGFRGATA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
  • 4-chloro-N-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide
  • STOCK4S-19385
  • SMR000148337
  • 4-Chloro-N-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-benzamide
  • MLS000557420
  • ZINC00498964

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 yoelii 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
Toxoplasma gondii 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
Plasmodium knowlesi 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
Theileria parva thioredoxin reductase, putative 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
Leishmania mexicana 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
Leishmania major 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
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
Loa Loa (eye worm) 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
Cryptosporidium hominis thioredoxin 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
Brugia malayi glutathione 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
Babesia bovis thiodoxin 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
Plasmodium vivax glutathione reductase, putative 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
Brugia malayi Thioredoxin reductase 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
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
Trypanosoma congolense 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
Trypanosoma cruzi trypanothione 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
Plasmodium falciparum 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 congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
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 %
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, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani 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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum NADH oxidase 0.002 0.0045 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.0247 0.6349
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0989 0.4282
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.225 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0364 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0247 0.021
Brugia malayi glutathione reductase 0.0057 0.0364 0.0364
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0045 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0247 0.0918
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0989 0.4282
Leishmania major hypothetical protein, conserved 0.0043 0.0247 0.6349
Mycobacterium ulcerans beta-lactamase 0.0043 0.0247 1
Onchocerca volvulus 0.0043 0.0247 0.5
Plasmodium falciparum thioredoxin reductase 0.0057 0.0364 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0247 0.0381
Mycobacterium tuberculosis Conserved protein 0.0043 0.0247 0.0918
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0045 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.039 0.0353
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0039 0.0039
Entamoeba histolytica protein kinase, putative 0.0661 0.5523 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0989 0.4282
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0247 0.0918
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0039 0.0039
Leishmania major trypanothione reductase 0.0057 0.0364 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0989 0.8565
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0247 0.0918
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0989 0.4282
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.066 0.5521 0.9996
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0247 0.6349
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0661 0.5523 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0247 0.0918
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.066 0.5521 0.9996
Mycobacterium ulcerans lipase LipD 0.0043 0.0247 1
Schistosoma mansoni serine/threonine protein kinase 0.1184 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0247 0.0918
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Entamoeba histolytica protein kinase, putative 0.0661 0.5523 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0364 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0228 0.019
Loa Loa (eye worm) hypothetical protein 0.006 0.039 0.0353
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0364 0.0593
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0247 0.021
Onchocerca volvulus 0.0043 0.0247 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0247 0.6349
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0247 1
Brugia malayi Thioredoxin reductase 0.0057 0.0364 0.0364
Schistosoma mansoni hypothetical protein 0.0041 0.0228 0.019
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Plasmodium vivax glutathione reductase, putative 0.0057 0.0364 1
Schistosoma mansoni serine/threonine protein kinase 0.0661 0.5523 0.5506
Mycobacterium tuberculosis Conserved protein 0.0043 0.0247 0.0918
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0247 0.0381
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0045 0.0012
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0247 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0247 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0364 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0364 0.0327
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0247 0.021
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0228 0.0228
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1113 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0045 0.0012
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0247 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0045 0.0045
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1113 0.4845
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0045 0.0006
Plasmodium falciparum glutathione reductase 0.0057 0.0364 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0364 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0247 0.6349
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0247 0.0918
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0247 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0045 0.5
Loa Loa (eye worm) beta-lactamase 0.0043 0.0247 0.021
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Brugia malayi beta-lactamase family protein 0.0043 0.0247 0.0247
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1113 0.4845
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0247 0.0918
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0661 0.5523 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0247 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.039 0.039
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0364 0.1446
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0989 0.4282
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0247 0.6349
Loa Loa (eye worm) hypothetical protein 0.0043 0.0247 0.021
Trypanosoma brucei trypanothione reductase 0.0057 0.0364 1
Brugia malayi beta-lactamase family protein 0.0043 0.0247 0.0247
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0247 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0247 1
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.1184 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0364 0.0593
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0247 1
Trichomonas vaginalis esterase, putative 0.0043 0.0247 1
Mycobacterium tuberculosis Probable reductase 0.013 0.0989 0.4282
Onchocerca volvulus 0.0043 0.0247 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.039 0.039
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1113 0.4845
Brugia malayi beta-lactamase 0.0043 0.0247 0.0247
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0247 0.0247

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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) 1.9953 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 32.6427 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 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) 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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

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.

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