Detailed information for compound 1428871

Basic information

Technical information
  • TDR Targets ID: 1428871
  • Name: methyl 2-[4-[(cyclopropanecarbonylamino)carba mothioylamino]phenyl]acetate
  • MW: 307.368 | Formula: C14H17N3O3S
  • H donors: 2 H acceptors: 2 LogP: 1.72 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1ccc(cc1)NC(=NNC(=O)C1CC1)S
  • InChi: 1S/C14H17N3O3S/c1-20-12(18)8-9-2-6-11(7-3-9)15-14(21)17-16-13(19)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,16,19)(H2,15,17,21)
  • InChiKey: MPWVFKSBXKVYRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[[[N'-(cyclopropyl-oxomethyl)hydrazino]-thioxomethyl]amino]phenyl]acetic acid methyl ester
  • 2-[4-[(cyclopropanecarbonylamino)thiocarbamoylamino]phenyl]acetic acid methyl ester
  • methyl 2-[4-[(cyclopropylcarbonylamino)carbamothioylamino]phenyl]ethanoate
  • STK164697
  • ZINC02405852
  • MLS000762976
  • SMR000438272

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0122 0.0122
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0692 0.0781
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0512 0.0512
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0018 0.0692 0.579
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0122 0.0122
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0122 0.0122
Trypanosoma brucei DNA polymerase eta, putative 0.0018 0.0692 0.1879
Trypanosoma brucei trypanothione reductase 0.0045 0.2427 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0474 0.0474
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Trypanosoma brucei unspecified product 0.0013 0.0321 0.0141
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0984 0.0984
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Echinococcus granulosus dna polymerase eta 0.0018 0.0692 0.0692
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0103 0.6182 0.8837
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.011 0.0124
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0512 0.1033
Brugia malayi hypothetical protein 0.0015 0.0505 0.0569
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0692 0.1879
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0122 0.0138
Loa Loa (eye worm) thioredoxin reductase 0.0045 0.2427 0.2738
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0512 0.0512
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.2427 0.2427
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.006 0.3423 0.3862
Echinococcus multilocularis dna polymerase eta 0.0018 0.0692 0.0692
Brugia malayi hypothetical protein 0.0024 0.1058 0.1194
Loa Loa (eye worm) hypothetical protein 0.0015 0.0474 0.0534
Loa Loa (eye worm) TAR-binding protein 0.006 0.3423 0.3862
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0122 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0122 0.0138
Schistosoma mansoni thyroid hormone receptor 0.001 0.0122 0.0122
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0512 0.1033
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0122 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0321 0.0141
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0512 0.005
Loa Loa (eye worm) hypothetical protein 0.0024 0.1058 0.1194
Onchocerca volvulus 0.0144 0.8863 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Loa Loa (eye worm) hypothetical protein 0.0047 0.2586 0.2918
Leishmania major hypothetical protein, conserved 0.0024 0.1058 0.3593
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0512 0.1733
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0114 0.6928 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0122 0.0138
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.2586 0.2918
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0512 0.0512
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.1058 0.289
Echinococcus multilocularis GPCR, family 2 0.0015 0.0474 0.0474
Brugia malayi ecdysteroid receptor 0.001 0.0122 0.0138
Plasmodium falciparum thioredoxin reductase 0.0045 0.2427 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Echinococcus multilocularis dna polymerase kappa 0.0018 0.0692 0.0692
Plasmodium vivax glutathione reductase, putative 0.0045 0.2427 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0018 0.0692 0.0692
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.2427 0.2427
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.1726 0.1726
Echinococcus granulosus tar DNA binding protein 0.006 0.3423 0.3423
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0122 0.0138
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0512 0.1033
Brugia malayi nuclear hormone receptor 0.001 0.0122 0.0138
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0015 0.0474 0.0474
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Schistosoma mansoni hypothetical protein 0.0161 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0018 0.0692 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0122 0.0122
Schistosoma mansoni DNA polymerase eta 0.0018 0.0692 0.0692
Plasmodium falciparum glutathione reductase 0.0016 0.0512 0.1733
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0512 0.6897
Loa Loa (eye worm) hypothetical protein 0.0032 0.1608 0.1815
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0018 0.0692 0.1879
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.011 0.011
Mycobacterium tuberculosis Probable reductase 0.0103 0.6182 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0114 0.6928 1
Mycobacterium ulcerans DNA polymerase IV 0.0018 0.0692 1
Entamoeba histolytica hypothetical protein 0.0034 0.1726 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0122 0.0122
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0122 0.0122
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0122 0.0122
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0512 0.005
Schistosoma mansoni tar DNA-binding protein 0.006 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Loa Loa (eye worm) MH2 domain-containing protein 0.0114 0.6896 0.7781
Schistosoma mansoni hypothetical protein 0.0015 0.0474 0.0474
Brugia malayi RNA recognition motif domain containing protein 0.006 0.3423 0.3862
Leishmania major DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Trypanosoma cruzi DNA polymerase eta, putative 0.0018 0.0692 0.1879
Schistosoma mansoni hypothetical protein 0.0161 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0692 0.1879
Plasmodium falciparum thioredoxin reductase 0.0016 0.0512 0.1733
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0122 0.0122
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0122 0.0138
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0122 0.0122
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0512 0.1733
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0122 0.0138
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0512 0.5
Entamoeba histolytica hypothetical protein 0.0034 0.1726 1
Brugia malayi ImpB/MucB/SamB family protein 0.0018 0.0692 0.0781
Loa Loa (eye worm) hypothetical protein 0.0018 0.0692 0.0781
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0512 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0122 0.0138
Giardia lamblia DINP protein human, muc B family 0.0018 0.0692 1
Trypanosoma brucei DNA polymerase IV, putative 0.0018 0.0692 0.1879
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0103 0.6182 0.8837
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Schistosoma mansoni hypothetical protein 0.0011 0.0197 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1058 0.4093
Schistosoma mansoni nuclear hormone receptor 0.001 0.0122 0.0122
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0122 0.0138
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0122 0.0122
Loa Loa (eye worm) transcription factor SMAD2 0.0114 0.6896 0.7781
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0474 0.0534
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0018 0.0692 0.0781
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0474 0.0474
Brugia malayi hypothetical protein 0.0144 0.8863 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0045 0.2427 0.2985
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Schistosoma mansoni coup transcription factor 0.001 0.0122 0.0122
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0122 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0122 0.0138
Trypanosoma brucei unspecified product 0.0013 0.0321 0.0141
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.011 0.011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0512 0.1033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0122 0.0138
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0122 0.0122
Schistosoma mansoni tar DNA-binding protein 0.006 0.3423 0.3423
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0018 0.0692 0.0281
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0512 0.1733
Schistosoma mansoni DNA helicase recq1 0.0009 0.011 0.011
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0122 0.0138
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0122 0.0138
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Loa Loa (eye worm) hypothetical protein 0.0144 0.8863 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0512 0.1033
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.011 0.0124
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0122 0.0138
Leishmania major trypanothione reductase 0.0045 0.2427 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0122 0.0122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Brugia malayi Thioredoxin reductase 0.0045 0.2427 0.2738
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0122 0.0138
Schistosoma mansoni hypothetical protein 0.0034 0.1726 0.1726
Schistosoma mansoni hypothetical protein 0.0015 0.0474 0.0474
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0018 0.0692 0.0692
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0474 0.0474
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0122 0.0138
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.2586 0.2918
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0103 0.6182 0.8837
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Loa Loa (eye worm) hypothetical protein 0.0115 0.6986 0.7883
Entamoeba histolytica deoxycytidyl transferase, putative 0.0018 0.0692 0.2796
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0122 0.0122
Schistosoma mansoni tar DNA-binding protein 0.006 0.3423 0.3423
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0018 0.0692 0.0692
Schistosoma mansoni hypothetical protein 0.0032 0.1608 0.1608
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0512 0.1033
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0114 0.6928 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0197 0.0197
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0984 1
Brugia malayi TAR-binding protein 0.006 0.3423 0.3862
Echinococcus granulosus GPCR family 2 0.0015 0.0474 0.0474
Schistosoma mansoni tar DNA-binding protein 0.006 0.3423 0.3423
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1058 0.3593
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0011 0.0242 0.0273
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.1058 0.3593
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.1726 0.1726
Schistosoma mansoni thyroid hormone receptor 0.001 0.0122 0.0122
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0474 0.0534
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Brugia malayi nuclear receptor NHR-88 0.001 0.0122 0.0138
Loa Loa (eye worm) glutathione reductase 0.0045 0.2427 0.2738
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1058 0.4093
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0803 0.2991
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.011 0.011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0512 0.1033
Brugia malayi RNA binding protein 0.006 0.3423 0.3862
Leishmania major DNA polymerase eta, putative 0.0018 0.0692 0.1879
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0512 0.3185
Echinococcus granulosus FTZ F1 alpha 0.001 0.0122 0.0122
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.1608 0.1815
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Schistosoma mansoni hypothetical protein 0.0015 0.0474 0.0474
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0011 0.0242 0.0273
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.011 0.0124
Echinococcus granulosus dna polymerase kappa 0.0018 0.0692 0.0692
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0009 0.011 0.0124
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Brugia malayi glutathione reductase 0.0045 0.2427 0.2738
Schistosoma mansoni DNA helicase recq5 0.0009 0.011 0.011
Trichomonas vaginalis DNA polymerase eta, putative 0.0018 0.0692 0.579
Mycobacterium tuberculosis Probable oxidoreductase 0.0114 0.6928 1
Echinococcus multilocularis geminin 0.0161 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.011 0.0000000012075
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0122 0.0138
Trypanosoma brucei unspecified product 0.0018 0.0692 0.1879
Brugia malayi hypothetical protein 0.0034 0.1726 0.1947
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0122 0.0122
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0512 0.1033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0122 0.0138
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0512 0.0577
Plasmodium falciparum glutathione reductase 0.0045 0.2427 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0103 0.6182 0.8837
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0122 0.0138
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0512 0.3185
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0122 0.0138
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0122 0.0122
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0474 0.0534
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.1726 0.1726
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0122 0.0122
Loa Loa (eye worm) RNA binding protein 0.006 0.3423 0.3862
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0197 0.0197
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0512 0.1033
Plasmodium vivax thioredoxin reductase, putative 0.0045 0.2427 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0122 0.0122
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0671 0.0671
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0512 0.1033
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Entamoeba histolytica hypothetical protein 0.0034 0.1726 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0122 0.0138
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0474 0.0474
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0512 0.1733
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0122 0.0138
Schistosoma mansoni tar DNA-binding protein 0.006 0.3423 0.3423
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0122 0.0138
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0512 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0321 0.0141
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0103 0.6182 0.8837
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0984 0.111
Loa Loa (eye worm) RecQ helicase 0.0023 0.0984 0.111
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0984 1
Trypanosoma cruzi trypanothione reductase, putative 0.0045 0.2427 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.1058 0.4093
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1058 0.3593
Mycobacterium tuberculosis Conserved hypothetical protein 0.0018 0.0692 0.0281
Echinococcus multilocularis tar DNA binding protein 0.006 0.3423 0.3423
Brugia malayi steroid hormone receptor 0.001 0.0122 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0122 0.0138
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0122 0.0122
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0692 0.1879
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0122 0.0122
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0018 0.0692 0.0692
Toxoplasma gondii thioredoxin reductase 0.0045 0.2427 1
Brugia malayi MH2 domain containing protein 0.0114 0.6896 0.7781
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.049 0.164
Echinococcus granulosus bloom syndrome protein 0.0023 0.0984 0.0984
Treponema pallidum NADH oxidase 0.0016 0.0512 0.5
Entamoeba histolytica hypothetical protein 0.0034 0.1726 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.2586 0.2918
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0122 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0321 0.0141

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours. (Class of assay: confirmatory) [Related pubchem assays: 1522, 1416 ] ChEMBL. No reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay to measure PERK inhibition. (Class of assay: confirmatory) [Related pubchem assays: 1416 ] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 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
Homo sapiens 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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