Detailed information for compound 1194208

Basic information

Technical information
  • TDR Targets ID: 1194208
  • Name: 2-ethoxyethyl 2-[(3,5-dioxo-2H-1,2,4-triazin- 6-yl)sulfanyl]propanoate
  • MW: 289.308 | Formula: C10H15N3O5S
  • H donors: 2 H acceptors: 6 LogP: 0.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCOC(=O)C(Sc1nnc(nc1O)O)C
  • InChi: 1S/C10H15N3O5S/c1-3-17-4-5-18-9(15)6(2)19-8-7(14)11-10(16)13-12-8/h6H,3-5H2,1-2H3,(H2,11,13,14,16)
  • InChiKey: FGSATLXWKQXRKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]propanoic acid 2-ethoxyethyl ester
  • 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]propionic acid 2-ethoxyethyl ester
  • BIM-0030938.P001
  • ST048747
  • CBMicro_030957
  • EU-0035932
  • MLS000108432
  • SMR000104389

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma mansoni jumonji domain containing protein 0.0026 0.0102 0.0102
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0532 0.0974
Plasmodium vivax SET domain protein, putative 0.0036 0.0223 0.6231
Loa Loa (eye worm) RNA binding protein 0.0062 0.0532 0.0974
Schistosoma mansoni myelin transcription factor 1 myt1 0.0097 0.0935 0.0935
Brugia malayi Thioredoxin reductase 0.0046 0.0342 0.0655
Loa Loa (eye worm) MBCTL1 0.0097 0.0935 0.1752
Schistosoma mansoni inositol monophosphatase 0.0036 0.0219 0.0219
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0025 0.0099 0.014
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0186 0.0511
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0025 0.0099 0.0099
Onchocerca volvulus 0.0025 0.0099 0.019
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0223 0.0217
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0219 0.6034
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0219 0.0212
Loa Loa (eye worm) AIDA-1b 0.0025 0.0099 0.014
Echinococcus multilocularis Sterile alpha motif type 0.0025 0.0099 0.008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0226 0.0226
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0186 0.0357
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0226 0.0221
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0186 0.7987
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0186 0.5064
Schistosoma mansoni hypothetical protein 0.0025 0.0099 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.039 0.0701
Brugia malayi hypothetical protein 0.0245 0.2674 0.5129
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0223 0.0217
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.0027
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1035 0.4043
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0186 0.0357
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0226 0.0801
Toxoplasma gondii ABC1 family protein 0.0036 0.0226 0.6276
Echinococcus multilocularis polycomb protein SCMH1 0.0269 0.2947 0.3227
Echinococcus multilocularis lamin 0.0027 0.012 0.0103
Schistosoma mansoni hypothetical protein 0.0331 0.3675 0.3675
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Loa Loa (eye worm) hypothetical protein 0.0033 0.0186 0.0308
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0115 0.1152 0.1243
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Trypanosoma cruzi hypothetical protein 0.0025 0.0099 0.2305
Onchocerca volvulus 0.0025 0.0099 0.019
Schistosoma mansoni sex comb on midleg homolog 0.0269 0.2947 0.2947
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2744 0.524
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0025 0.0099 0.008
Echinococcus granulosus pyruvate kinase 0.0033 0.0186 0.0266
Schistosoma mansoni spingomyelin synthetase-related 0.0025 0.0099 0.0099
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0226 0.0801
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0792 0.9077 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0026 0.0102 0.0083
Brugia malayi Pre-SET motif family protein 0.0251 0.2744 0.5264
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.1172 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0078 0.0719 0.0765
Schistosoma mansoni Protein aveugle 0.0025 0.0099 0.0099
Plasmodium vivax JmjC domain containing protein 0.0029 0.0145 0.3757
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0186 0.0511
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.0902 0.0902
Echinococcus multilocularis liprin alpha 2 0.0025 0.0099 0.008
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0226 0.0516
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0099 0.2305
Echinococcus multilocularis liprin alpha 2 0.0025 0.0099 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0223 0.0223
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0226 0.0639
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0226 0.0385
Mycobacterium ulcerans beta-lactamase 0.0036 0.0226 1
Onchocerca volvulus 0.0025 0.0099 0.019
Leishmania major pyruvate kinase 0.0033 0.0186 0.5064
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0175 0.0594
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0226 0.0639
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0226 1
Onchocerca volvulus 0.0036 0.0226 0.0434
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0635 0.0635
Brugia malayi hypothetical protein 0.0071 0.0635 0.1217
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.012 0.0229
Loa Loa (eye worm) hypothetical protein 0.0027 0.0114 0.0168
Schistosoma mansoni hypothetical protein 0.0071 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Loa Loa (eye worm) hypothetical protein 0.0034 0.0204 0.0341
Giardia lamblia Giardia trophozoite antigen GTA-1 0.0025 0.0099 0.4552
Brugia malayi jmjC domain containing protein 0.0138 0.1422 0.2729
Echinococcus granulosus polyhomeotic protein 2 0.0025 0.0099 0.0121
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0532 0.0532
Echinococcus multilocularis histone acetyltransferase myst3 0.0041 0.0283 0.0283
Plasmodium falciparum JmjC domain-containing protein, putative 0.0029 0.0145 0.3757
Schistosoma mansoni phd finger protein 0.0041 0.0283 0.0283
Loa Loa (eye worm) CHromoDomain protein family member 0.0027 0.0121 0.0181
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0635 0.1015
Brugia malayi glutathione reductase 0.0046 0.0342 0.0655
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0186 0.0357
Trichomonas vaginalis esterase, putative 0.0036 0.0226 0.0639
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.007 0.0083
Brugia malayi hypothetical protein 0.0025 0.0099 0.019
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0226 0.0226
Onchocerca volvulus 0.0025 0.0099 0.019
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0226 0.0333
Brugia malayi Pre-SET motif family protein 0.0036 0.0223 0.0428
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0186 0.0357
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.252 1
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0025 0.0099 0.0121
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0342 0.0607
Toxoplasma gondii PLU-1 family protein 0.0044 0.0321 0.9245
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1035 0.4043
Entamoeba histolytica hypothetical protein 0.0071 0.0635 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0223 0.0328
Echinococcus granulosus intermediate filament protein 0.0027 0.012 0.0155
Mycobacterium tuberculosis Probable reductase 0.0105 0.1035 0.4043
Plasmodium falciparum pyruvate kinase 0.0033 0.0186 0.5064
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0186 0.0308
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0115 0.1152 0.1878
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0219 0.3158
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0532 0.0532
Schistosoma mansoni pyruvate kinase 0.0033 0.0186 0.0186
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0186 0.5064
Brugia malayi beta-lactamase 0.0036 0.0226 0.0434
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0342 0.0526
Schistosoma mansoni hypothetical protein 0.0025 0.0099 0.0099
Echinococcus multilocularis musashi 0.0027 0.012 0.0103
Trypanosoma brucei trypanothione reductase 0.0046 0.0342 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0226 0.0434
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0226 0.634
Entamoeba histolytica hypothetical protein 0.0071 0.0635 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0207 0.0302
Giardia lamblia Kinesin-13 0.0025 0.0099 0.4552
Loa Loa (eye worm) beta-lactamase 0.0036 0.0226 0.0385
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0226 0.0801
Brugia malayi Inositol-1 0.0036 0.0219 0.0419
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1499 0.1627
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0046 0.0345 1
Brugia malayi CHD4 protein 0.0027 0.0121 0.0231
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0226 0.0801
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0331 0.3675 0.4031
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0226 0.0639
Schistosoma mansoni Protein aveugle 0.0025 0.0099 0.0099
Onchocerca volvulus 0.0036 0.0226 0.0434
Echinococcus granulosus histone acetyltransferase myst3 0.0041 0.0283 0.0428
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1499 0.1499
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0226 0.0801
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0219 0.0615
Onchocerca volvulus 0.0305 0.3373 0.647
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0223 0.0223
Loa Loa (eye worm) tnks protein 0.0025 0.0099 0.014
Schistosoma mansoni inositol monophosphatase 0.0036 0.0219 0.0219
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0027 0.5
Brugia malayi Sphingomyelin synthase-related 1 0.0025 0.0099 0.019
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0342 1
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.0025 0.0099 0.2305
Schistosoma mansoni DNAj-like protein 0.0025 0.0099 0.0099
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.007 0.0705
Echinococcus multilocularis histone acetyltransferase MYST2 0.0097 0.0935 0.1004
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0331 0.3675 0.609
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0219 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0186 0.0357
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0342 0.1263
Brugia malayi bicaudal-C 0.0025 0.0099 0.019
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3151 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.0359 0.0359
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0099 0.0232
Onchocerca volvulus Huntingtin homolog 0.0245 0.2674 0.5129
Leishmania major trypanothione reductase 0.0046 0.0342 1
Echinococcus multilocularis chromobox protein 2 0.0199 0.2134 0.2328
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0025 0.0099 0.0232
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1035 0.4043
Brugia malayi coiled-coil like protein 1 0.0025 0.0099 0.019
Leishmania major hypothetical protein, conserved 0.0036 0.0226 0.634
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0186 0.064
Mycobacterium leprae Probable lipase LipE 0.0036 0.0226 0.0516
Onchocerca volvulus 0.0027 0.012 0.0229
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0223 0.0223
Plasmodium vivax glutathione reductase, putative 0.0046 0.0342 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.1172 0.4595
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.0027
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0531 0.6018 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.1499 0.2876
Onchocerca volvulus Huntingtin homolog 0.0245 0.2674 0.5129
Echinococcus granulosus chromobox protein 2 0.0199 0.2134 0.3517
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0226 0.0801
Loa Loa (eye worm) intermediate filament protein 0.0027 0.012 0.0179
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0532 0.0532
Brugia malayi mbt repeat family protein 0.0462 0.5213 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1499 0.2458
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.1172 0.4595
Brugia malayi mbt repeat family protein 0.028 0.3074 0.5898
Onchocerca volvulus 0.0036 0.0226 0.0434
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0027 0.0121 0.0157
Echinococcus granulosus SAM and MBT domain containing protein 0.0389 0.4357 0.7228
Schistosoma mansoni intermediate filament proteins 0.0027 0.012 0.012
Loa Loa (eye worm) glutathione reductase 0.0046 0.0342 0.0607
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0219 0.0615
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Brugia malayi AIDA-1b 0.0025 0.0099 0.019
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0186 0.0308
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0097 0.0935 0.1517
Loa Loa (eye worm) hypothetical protein 0.0462 0.5213 1
Schistosoma mansoni lip-related protein (liprin) alpha 0.0025 0.0099 0.0099
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0389 0.4357 0.4357
Brugia malayi jmjC domain containing protein 0.0026 0.0102 0.0195
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0531 0.6018 0.662
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Giardia lamblia Pyruvate kinase 0.0033 0.0186 1
Echinococcus granulosus sphingomyelin synthase protein 1 0.0025 0.0099 0.0121
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0219 0.9614
Mycobacterium tuberculosis Conserved protein 0.0036 0.0226 0.0801
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0219 0.6095
Trypanosoma cruzi Kinesin-13 5, putative 0.0025 0.0099 0.2305
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0025 0.0099 0.019
Onchocerca volvulus 0.0025 0.0099 0.019
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0026 0.0102 0.0125
Echinococcus multilocularis pyruvate kinase 0.0033 0.0186 0.0176
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0204 0.039
Loa Loa (eye worm) hypothetical protein 0.0027 0.012 0.0179
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0027 0.0121 0.0121
Echinococcus granulosus Sterile alpha motif type 0.0025 0.0099 0.0121
Brugia malayi Liprin-alpha 2 0.0025 0.0099 0.019
Mycobacterium tuberculosis Conserved protein 0.0036 0.0226 0.0801
Schistosoma mansoni lamin 0.0027 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0245 0.2674 0.5104
Onchocerca volvulus 0.0025 0.0099 0.019
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0532 0.102
Toxoplasma gondii hypothetical protein 0.0026 0.0104 0.2418
Echinococcus granulosus tar DNA binding protein 0.0062 0.0532 0.0843
Mycobacterium tuberculosis Conserved protein 0.0036 0.0226 0.0801
Loa Loa (eye worm) jmjC domain-containing protein 0.0138 0.1422 0.2691
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0033 0.0184 0.494
Echinococcus granulosus polycomb protein SCMH1 0.0269 0.2947 0.4874
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0219 0.6095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1499 0.1499
Echinococcus granulosus lysine specific demethylase 5A 0.0094 0.0902 0.1462
Trichomonas vaginalis cgi-62, putative 0.0025 0.0099 0.0232
Echinococcus multilocularis pdz domain containing protein 0.0025 0.0099 0.008
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0097 0.0935 0.1794
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0226 0.634
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.1172 0.4595
Brugia malayi Shank2E 0.0025 0.0099 0.019
Schistosoma mansoni sex comb on midleg homolog 0.0269 0.2947 0.2947
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0186 0.5012
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0226 0.0801
Schistosoma mansoni jumonji/arid domain-containing protein 0.0094 0.0902 0.0902
Loa Loa (eye worm) hypothetical protein 0.0097 0.0935 0.1752
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0097 0.0935 0.1004
Echinococcus granulosus histone acetyltransferase MYST2 0.0097 0.0935 0.1517
Mycobacterium ulcerans lipase LipD 0.0036 0.0226 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0226 0.0639
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.012 0.0179
Echinococcus granulosus lamin 0.0027 0.012 0.0155
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0462 0.5213 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.007 0.0083
Brugia malayi hypothetical protein 0.0025 0.0099 0.019
Onchocerca volvulus Tankyrase homolog 0.0025 0.0099 0.019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.1499 0.2458
Plasmodium vivax protein kinase, putative 0.0025 0.0099 0.2305
Toxoplasma gondii thioredoxin reductase 0.0046 0.0342 0.9899
Onchocerca volvulus 0.0027 0.012 0.0229
Echinococcus granulosus pyruvate kinase 0.0033 0.0186 0.0266
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0219 0.032
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0342 1
Echinococcus multilocularis Sterile alpha motif SAM 0.0025 0.0099 0.008
Schistosoma mansoni chromobox protein 0.0199 0.2134 0.2134
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0219 0.6095
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0186 0.5064
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Brugia malayi beta-lactamase family protein 0.0036 0.0226 0.0434
Echinococcus multilocularis pyruvate kinase 0.0026 0.0105 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0226 0.0639
Entamoeba histolytica hypothetical protein 0.0071 0.0635 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.1499 0.1627
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.039 0.0748
Schistosoma mansoni hypothetical protein 0.0034 0.0204 0.0204
Onchocerca volvulus 0.0286 0.3151 0.6044
Loa Loa (eye worm) inositol-1 0.0036 0.0219 0.037
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.0025 0.0099 0.008
Echinococcus granulosus liprin alpha 2 0.0025 0.0099 0.0121
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0025 0.0099 0.008
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0027 0.0121 0.0104
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.1035 0.862
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0635 0.0672
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0219 0.0615
Schistosoma mansoni polyhomeotic 0.0025 0.0099 0.0099
Plasmodium falciparum glutathione reductase 0.0046 0.0342 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.1499 0.1499
Echinococcus multilocularis lamin dm0 0.0027 0.012 0.0103
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1035 0.4043
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0219 0.6095
Chlamydia trachomatis pyruvate kinase 0.0033 0.0186 0.5
Schistosoma mansoni pyruvate kinase 0.0033 0.0186 0.0186
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0186 0.5064
Echinococcus multilocularis SAM and MBT domain containing protein 0.0389 0.4357 0.4785
Loa Loa (eye worm) mbt repeat family protein 0.028 0.3074 0.5877
Echinococcus multilocularis pyruvate kinase 0.0033 0.0186 0.0176
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.039 0.0748
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Echinococcus granulosus Sterile alpha motif SAM 0.0025 0.0099 0.0121
Brugia malayi RNA binding protein 0.0062 0.0532 0.102
Plasmodium falciparum thioredoxin reductase 0.0046 0.0342 1
Brugia malayi cask-interacting protein 2 0.0025 0.0099 0.019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.1499 0.2839
Echinococcus granulosus pdz domain containing protein 0.0025 0.0099 0.0121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0532 0.0974
Loa Loa (eye worm) hypothetical protein 0.0245 0.2674 0.5104
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1035 0.4043
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0532 0.0532
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0186 0.5064
Brugia malayi beta-lactamase family protein 0.0036 0.0226 0.0434
Loa Loa (eye worm) hypothetical protein 0.0036 0.0226 0.0385
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0099 0.014
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0342 0.0348
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0186 0.0308
Onchocerca volvulus 0.0048 0.0359 0.0689
Echinococcus granulosus lamin dm0 0.0027 0.012 0.0155
Brugia malayi TAR-binding protein 0.0062 0.0532 0.102
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0027 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0532 0.0532
Schistosoma mansoni lamin 0.0027 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.005 0.039 0.0701
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.0025 0.0099 0.0121
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0532 0.0558
Mycobacterium ulcerans hypothetical protein 0.0036 0.0226 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0186 0.0113
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0378
Echinococcus granulosus liprin alpha 2 0.0025 0.0099 0.0121
Entamoeba histolytica hypothetical protein 0.0071 0.0635 1
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.0025 0.0099 0.2305
Brugia malayi intermediate filament protein 0.0027 0.012 0.0229
Echinococcus multilocularis polyhomeotic protein 2 0.0025 0.0099 0.008
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0226 0.634
Leishmania major pyruvate kinase 0.0033 0.0186 0.5064
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0226 0.634

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) 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) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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