Detailed information for compound 1285924

Basic information

Technical information
  • TDR Targets ID: 1285924
  • Name: T5234082
  • MW: 371.765 | Formula: C15H9ClF3N3OS
  • H donors: 1 H acceptors: 4 LogP: 4.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(cnc1SCc1nc(O)c2c(n1)cccc2)C(F)(F)F
  • InChi: 1S/C15H9ClF3N3OS/c16-10-5-8(15(17,18)19)6-20-14(10)24-7-12-21-11-4-2-1-3-9(11)13(23)22-12/h1-6H,7H2,(H,21,22,23)
  • InChiKey: RWBLJAAIOZWPLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000761325
  • SMR000370228
  • ZINC02637230

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Trypanosoma brucei methionyl-tRNA synthetase, putative Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Babesia bovis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma congolense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium knowlesi methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium berghei methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum ko:K01874 methionyl-tRNA synthetase [EC6.1.1.10], putative Get druggable targets OG5_127468 All targets in OG5_127468
Onchocerca volvulus Get druggable targets OG5_127468 All targets in OG5_127468
Cryptosporidium hominis methionine -- tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma cruzi methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania donovani methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium falciparum methionine--tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium ulcerans methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania major methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Giardia lamblia Methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) tyrosyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Cryptosporidium parvum methionyl-tRNA synthetase of possible bacterial origin Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma brucei methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania infantum methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma brucei gambiense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Trichomonas vaginalis methionine-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium leprae Probable methionyl-tRNA synthase MetS Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium vivax methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus granulosus methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania mexicana methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium yoelii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni methionine-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania braziliensis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) Get druggable targets OG5_127468 All targets in OG5_127468
Neospora caninum Methionine--tRNA ligase (EC 6.1.1.10), related Get druggable targets OG5_127468 All targets in OG5_127468
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.001 0.001
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0192 0.0192
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.4906 0.8918
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.001 0.001
Brugia malayi nuclear receptor NHR-88 0.0012 0.0192 0.0226
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0381 0.1288
Plasmodium falciparum glutathione reductase 0.0046 0.1909 0.594
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0165 0.0195
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0381 0.1288
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0192 0.0226
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0192 0.0192
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1909 0.594
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0192 0.0192
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Toxoplasma gondii tRNA ligases class I (M) protein 0.0025 0.0862 0.2917
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0381 0.1288
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0192 0.0226
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0066 0.2954 0.537
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0192 0.0192
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0192 0.0226
Brugia malayi hypothetical protein 0.0009 0.001 0.0011
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.001 0.0011
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.4906 0.8918
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0192 0.0226
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0192 0.0192
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0192 0.0192
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0381 0.1288
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.001 0.001
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.001 0.001
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0192 0.0226
Leishmania major leucyl-tRNA synthetase, putative 0.0025 0.0862 0.2917
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0011
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.001 0.001
Brugia malayi hypothetical protein 0.0009 0.001 0.0011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0381 0.1288
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.001 0.001
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0381 0.0448
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.4906 0.8918
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0381 0.0692
Echinococcus multilocularis leucyl tRNA synthetase 0.0025 0.0862 0.0862
Plasmodium vivax glutathione reductase, putative 0.0046 0.1909 0.594
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0381 0.1288
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.4906 0.8918
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.2954 0.537
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0192 0.0192
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0192 0.0226
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0025 0.0862 0.0862
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0192 0.0192
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.2954 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0192 0.0226
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0192 0.0192
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0066 0.2954 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0192 0.0192
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0862 0.187
Toxoplasma gondii hypothetical protein 0.0009 0.001 0.0032
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0381 0.1288
Treponema pallidum leucyl-tRNA synthetase 0.0025 0.0862 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0192 0.0192
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0192 0.0215
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0192 0.0192
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0192 0.0226
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.001 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.001 0.0011
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0192 0.0192
Brugia malayi glutathione reductase 0.0046 0.1909 0.2246
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0381 0.1288
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0192 0.0226
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0192 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0192 0.0226
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0381 0.0381
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.001 0.001
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1909 0.1909
Schistosoma mansoni coup transcription factor 0.0012 0.0192 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0192 0.0226
Loa Loa (eye worm) glutathione reductase 0.0046 0.1909 0.2246
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0381 0.1288
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Treponema pallidum methionyl-tRNA synthetase 0.0025 0.0862 1
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0025 0.0862 0.0862
Onchocerca volvulus 0.0041 0.1662 0.1946
Schistosoma mansoni dishevelled 0.0009 0.001 0.001
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.2954 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0192 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0192 0.0226
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.5502 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0025 0.0862 0.0862
Brugia malayi DIX domain containing protein 0.0009 0.001 0.0011
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0192 0.0192
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0192 0.0192
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0.0862 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0862 0.1014
Loa Loa (eye worm) hypothetical protein 0.0025 0.0862 0.1014
Plasmodium falciparum methionine--tRNA ligase, putative 0.0025 0.0862 0.187
Brugia malayi nuclear hormone receptor 0.0012 0.0192 0.0226
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0192 0.0192
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.5502 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0192 0.0192
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.001 0.0011
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0192 0.0192
Brugia malayi protein ZK524.3 0.0025 0.0862 0.1014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0175 0.8501 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1909 0.347
Giardia lamblia Leucyl-tRNA synthetase 0.0025 0.0862 0.187
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0066 0.2954 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1909 0.1909
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.2954 0.3475
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0192 0.0192
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0.0862 1
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.2954 0.2954
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.1662 0.1955
Loa Loa (eye worm) hypothetical protein 0.0025 0.0862 0.1014
Trypanosoma brucei trypanothione reductase 0.0046 0.1909 0.6463
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0192 0.0192
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.2954 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0192 0.0226
Plasmodium falciparum thioredoxin reductase 0.0046 0.1909 0.594
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0381 0.1288
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0381 0.0381
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.001 0.001
Schistosoma mansoni dep domain containing protein 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.2954 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0192 0.0226
Schistosoma mansoni dishevelled 0.0009 0.001 0.001
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0381 0.1288
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0192 0.0226
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0192 0.0192
Brugia malayi Thioredoxin reductase 0.0046 0.1909 0.2246
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0.0862 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0381 0.1288
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0192 0.0192
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Onchocerca volvulus 0.0012 0.0192 0.0215
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0192 0.0215
Mycobacterium tuberculosis Probable reductase 0.0105 0.4906 0.8918
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0192 0.0226
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.2954 0.2954
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0192 0.0192
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.4906 0.8918
Brugia malayi N-terminal motif family protein 0.0175 0.8501 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.5502 1
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0025 0.0862 0.2917
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0192 0.0226
Brugia malayi steroid hormone receptor 0.0012 0.0192 0.0226
Brugia malayi ecdysteroid receptor 0.0012 0.0192 0.0226
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0192 0.0192
Brugia malayi methionyl-tRNA synthetase 0.0025 0.0862 0.1014
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.2954 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0192 0.0226
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0381 0.1288
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.8501 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.2954 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.1909 0.6463
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1909 0.6463
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.5502 1
Leishmania major trypanothione reductase 0.0046 0.1909 0.6463
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1909 0.2246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0192 0.0226
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0025 0.0862 0.187
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0165 0.0195
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.4906 0.8918
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.2954 0.2954
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0192 0.0226
Brugia malayi methionyl-tRNA synthetase 0.0066 0.2954 0.3475
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0381 0.1288
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0192 0.0226
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.2954 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0381 0.0381
Plasmodium vivax methionine--tRNA ligase, putative 0.0025 0.0862 0.187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0192 0.0226
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.001 0.001
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.001 0.001
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0192 0.0215
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0192 0.0192
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.001 0.0011
Schistosoma mansoni methionine-tRNA synthetase 0.0025 0.0862 0.0862
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0192 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0192 0.0226
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.2954 1
Schistosoma mansoni regulator of G protein signaling 0.0009 0.001 0.001
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0381 0.1288
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0011
Loa Loa (eye worm) hypothetical protein 0.0009 0.001 0.0011

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 5.347 uM PubChem BioAssay. Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 14.406 uM PubChem BioAssay. Counterscreen Fluorescent Polarization-based biochemical high throughput orthogonal dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 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) 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 37.933 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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