Detailed information for compound 1036518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.089 | Formula: C12H14Cl4N6O4
  • H donors: 4 H acceptors: 8 LogP: 3.64 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(O)c(c(n1)N1CCN(CC1)c1nc(O)nc(c1Cl)O)Cl.Cl.Cl
  • InChi: 1S/C12H12Cl2N6O4.2ClH/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8;;/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24);2*1H
  • InChiKey: TUHIAPQCWPLLFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thymidine phosphorylase Starlite/ChEMBL References
Escherichia coli thymidine phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus multilocularis thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium ulcerans thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
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 multilocularis diuretic hormone 44 receptor GPRdih2 0.0027 0.0109 0.0095
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0012 0.0014 0.0001
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0014 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Loa Loa (eye worm) hypothetical protein 0.0027 0.0109 0.0751
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Brugia malayi jmjC domain containing protein 0.0092 0.054 0.422
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0308 0.1958 0.7044
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0141 0.1241
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.024 0.0226
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.024 0.2213
Trypanosoma brucei unspecified product 0.0134 0.0811 0.7798
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0174 0.016
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0032 0.0141 0.1572
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0114 0.1245
Trypanosoma cruzi DNA damage repair protein, putative 0.0035 0.0165 0.1477
Onchocerca volvulus 0.0233 0.1465 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2774 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.019 0.0177
Brugia malayi Calcitonin receptor-like protein seb-1 0.0085 0.0491 0.3838
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Mycobacterium tuberculosis Probable reductase 0.0308 0.1958 0.1947
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.0833 0.6479
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.019 0.0177
Schistosoma mansoni hypothetical protein 0.0027 0.0109 0.0222
Trypanosoma cruzi DNA polymerase kappa, putative 0.014 0.0853 0.8216
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.024 0.1559
Trypanosoma brucei DNA polymerase IV, putative 0.014 0.0853 0.8216
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0359 0.3381
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0236 0.0479
Loa Loa (eye worm) glutathione reductase 0.0135 0.082 0.6376
Schistosoma mansoni disulfide oxidoreductase 0.0012 0.0014 0.0028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0174 0.0353
Trichomonas vaginalis rotamase, putative 0.0033 0.0148 0.0927
Brugia malayi mbt repeat family protein 0.0046 0.0236 0.1843
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0278 0.0565
Brugia malayi mbt repeat family protein 0.0046 0.0236 0.1843
Schistosoma mansoni microtubule-associated protein tau 0.0758 0.4917 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.012 0.0724 0.0711
Trypanosoma cruzi NADH dehydrogenase, putative 0.0012 0.0014 0.0001
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0014 0.0000023137
Trypanosoma brucei DNA damage repair protein, putative 0.0035 0.0165 0.1477
Brugia malayi Pre-SET motif family protein 0.0205 0.1279 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.014 0.0853 0.5786
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0236 0.0222
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0141 0.1241
Leishmania major NADH dehydrogenase, putative 0.0012 0.0014 0.0001
Schistosoma mansoni hypothetical protein 0.0027 0.0109 0.0222
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0359 0.281
Brugia malayi Latrophilin receptor protein 2 0.0027 0.0109 0.0852
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0157 0.0143
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0141 0.1241
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1465 1
Brugia malayi Thioredoxin reductase 0.0135 0.082 0.6415
Plasmodium falciparum glutathione reductase 0.0135 0.082 1
Echinococcus multilocularis thymidine phosphorylase 0.1531 1 1
Loa Loa (eye worm) RecQ helicase 0.0023 0.0085 0.0561
Loa Loa (eye worm) hypothetical protein 0.0117 0.0701 0.5431
Loa Loa (eye worm) latrophilin receptor protein 2 0.0027 0.0109 0.0751
Brugia malayi ImpB/MucB/SamB family protein 0.0114 0.0681 0.5328
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0014 0.0001
Trypanosoma brucei unspecified product 0.0079 0.0449 0.4257
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0143 0.1939
Loa Loa (eye worm) hypothetical protein 0.0048 0.025 0.1868
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.024 0.2803
Loa Loa (eye worm) hypothetical protein 0.0028 0.0114 0.0794
Schistosoma mansoni glutamate synthase 0.0012 0.0014 0.0028
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0032 0.0141 0.0874
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.0492 0.4675
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.024 0.2803
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0157 0.0143
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0114 0.0681 0.0668
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0359 0.3381
Schistosoma mansoni hypothetical protein 0.0381 0.2435 0.4953
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0236 0.1528
Loa Loa (eye worm) hypothetical protein 0.0058 0.0314 0.2373
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0012 0.0014 0.0001
Plasmodium falciparum phd finger protein, putative 0.0028 0.0118 0.1287
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0012 0.0014 0.0002
Schistosoma mansoni aldehyde dehydrogenase 0.0049 0.0253 0.0514
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0114 0.1245
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0432 0.2774 0.2764
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0158 0.1238
Echinococcus granulosus thioredoxin glutathione reductase 0.0136 0.0824 0.0811
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Echinococcus granulosus bloom syndrome protein 0.0023 0.0085 0.0071
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0085 0.0071
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0012 0.0014 0.0000023137
Brugia malayi Bromodomain containing protein 0.0028 0.0118 0.0921
Trypanosoma cruzi DNA damage repair protein, putative 0.0035 0.0165 0.1477
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0114 0.0983
Trypanosoma brucei DNA polymerase eta, putative 0.0168 0.1036 1
Schistosoma mansoni hypothetical protein 0.0027 0.0109 0.0222
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0125 0.0112
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0118 0.0104
Echinococcus multilocularis microtubule associated protein 2 0.0758 0.4917 0.491
Echinococcus granulosus GPCR family 2 0.0027 0.0109 0.0095
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.1128 0.1116
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.024 0.3184
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0185 0.1673
Schistosoma mansoni inositol monophosphatase 0.0032 0.0141 0.0286
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0158 0.1238
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0185 0.1178
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0012 0.0014 0.0002
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0118 0.0104
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.1128 0.1116
Echinococcus granulosus geminin 0.0381 0.2435 0.2425
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0135 0.082 0.0808
Echinococcus granulosus dna polymerase kappa 0.014 0.0853 0.0841
Trypanosoma brucei DNA damage repair protein, putative 0.0035 0.0165 0.1477
Mycobacterium tuberculosis Probable dehydrogenase 0.0308 0.1958 0.1947
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.024 1
Giardia lamblia DINP protein human, muc B family 0.012 0.0724 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0012 0.0014 0.0001
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.024 0.2213
Brugia malayi glutamate synthase 0.0012 0.0014 0.0109
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.024 0.2213
Echinococcus multilocularis transcription factor btf3 0.0038 0.0185 0.0171
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0236 0.0479
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0359 0.0731
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0014 0.0001
Schistosoma mansoni hypothetical protein 0.0381 0.2435 0.4953
Schistosoma mansoni terminal deoxycytidyl transferase 0.0114 0.0681 0.1386
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0359 0.3381
Trypanosoma brucei unspecified product 0.0079 0.0449 0.4257
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0049 0.0253 0.0239
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0014 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0085 0.0491 0.3838
Brugia malayi Inositol-1 0.0032 0.0141 0.11
Plasmodium vivax basic transcription factor 3b, putative 0.0038 0.0185 0.2119
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0415 0.0844
Schistosoma mansoni hypothetical protein 0.0012 0.0014 0.0028
Echinococcus granulosus transcription factor btf3 0.0038 0.0185 0.0171
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.024 0.0226
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0125 0.0112
Entamoeba histolytica deoxycytidyl transferase, putative 0.0114 0.0681 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0118 0.1287
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0014 0.0001
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0034 0.0252
Echinococcus granulosus peregrin 0.0028 0.0118 0.0104
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0308 0.1958 0.1947
Brugia malayi PHD-finger family protein 0.0028 0.0118 0.0921
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0157 0.0319
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0278 0.0264
Trypanosoma brucei chrX additional, unordered contigs 0.0035 0.0165 0.1477
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0049 0.0253 0.2336
Schistosoma mansoni hypothetical protein 0.0028 0.0118 0.0239
Trypanosoma brucei transcription factor BTF3, putative 0.0038 0.0185 0.1673
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0012 0.0014 0.0000023137
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.0833 0.6479
Schistosoma mansoni hypothetical protein 0.0012 0.0014 0.0028
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0179 0.0166
Echinococcus multilocularis GPCR, family 2 0.0027 0.0109 0.0095
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0185 0.1178
Leishmania major hypothetical protein, conserved 0.0012 0.0014 0.0001
Brugia malayi Pre-SET motif family protein 0.0029 0.0125 0.0981
Mycobacterium tuberculosis Probable oxidoreductase 0.0342 0.2184 0.2173
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0179 0.0166
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.0492 0.4675
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0308 0.1958 0.1947
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0114 0.0681 0.5277
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0012 0.0014 0.0001
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0014 0.0001
Trypanosoma cruzi trypanothione reductase, putative 0.0135 0.082 0.7893
Brugia malayi hypothetical protein 0.0028 0.0114 0.0894
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0125 0.1382
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.1279 1
Loa Loa (eye worm) inositol-1 0.0032 0.0141 0.1002
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.024 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0036 0.0267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0174 0.1357
Brugia malayi glutathione reductase 0.0135 0.082 0.6415
Leishmania major hypothetical protein, conserved 0.0028 0.0114 0.0983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0174 0.016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0066 0.0651
Leishmania major DNA polymerase eta, putative 0.0168 0.1036 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0027 0.0109 0.0095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0174 0.1262
Plasmodium falciparum thioredoxin reductase 0.0047 0.024 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Onchocerca volvulus 0.0046 0.0236 0.1528
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0118 0.0239
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0012 0.0014 0.0002
Plasmodium falciparum DNA repair protein REV1, putative 0.0035 0.0165 0.187
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0012 0.0014 0.0000023137
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0085 0.049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0174 0.0353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0174 0.0353
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0308 0.1958 0.1947
Leishmania major DNA polymerase kappa, putative 0.012 0.0724 0.695
Echinococcus granulosus inositol monophosphatase 1 0.0032 0.0141 0.0127
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0042 0.0207 0.2399
Brugia malayi hypothetical protein 0.0018 0.005 0.039
Trypanosoma cruzi DNA polymerase eta, putative 0.0168 0.1036 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0136 0.0824 0.0811
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0014 0.0001
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0014 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.0337 0.316
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.024 0.2213
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0308 0.1958 0.1947
Trichomonas vaginalis inositol monophosphatase, putative 0.0032 0.0141 0.0874
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0027 0.0109 0.0095
Brugia malayi polk-prov protein 0.0062 0.0337 0.2634
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0359 0.3381
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0342 0.2184 0.2173
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0185 0.1178
Echinococcus granulosus microtubule associated protein 2 0.0758 0.4917 0.491
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0012 0.0014 0.0000023137
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0032 0.0141 0.0127
Mycobacterium ulcerans hypothetical protein 0.0035 0.0165 0.0151
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0432 0.2774 0.2764
Loa Loa (eye worm) thioredoxin reductase 0.0135 0.082 0.6376
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0049 0.0253 0.0239
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0032 0.0141 0.5606
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0114 0.0681 0.1386
Echinococcus multilocularis geminin 0.0381 0.2435 0.2425
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0143 0.1267
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0032 0.0141 0.19
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0359 0.0346
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.024 0.1877
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0278 0.0264
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.024 0.0226
Loa Loa (eye worm) hypothetical protein 0.0062 0.0337 0.2553
Onchocerca volvulus Alhambra homolog 0.0028 0.0118 0.0715
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.024 0.0488
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0085 0.0665
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0359 0.5176
Onchocerca volvulus 0.0029 0.0125 0.0768
Schistosoma mansoni DNA polymerase IV / kappa 0.0035 0.0165 0.0335
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0185 0.1673
Plasmodium falciparum glutathione reductase 0.0047 0.024 0.2803
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0118 0.1287
Giardia lamblia DNA damage repair protein 0.0035 0.0165 0.2124
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0157 0.0319
Echinococcus multilocularis dna polymerase eta 0.0168 0.1036 0.1023
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.024 0.2803
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0014 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0125 0.0255
Trypanosoma brucei NADH dehydrogenase 0.0012 0.0014 0.0001
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0143 0.1267
Trypanosoma brucei DNA polymerase IV, putative 0.0134 0.0811 0.7798
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0114 0.0983
Mycobacterium ulcerans thymidine phosphorylase 0.1531 1 1
Toxoplasma gondii thioredoxin reductase 0.0135 0.082 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0165 0.187
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0089 0.0519 0.6264
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.024 0.0226
Giardia lamblia PHD finger protein 15 0.0028 0.0118 0.1461
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Schistosoma mansoni inositol monophosphatase 0.0032 0.0141 0.0286
Trypanosoma cruzi DNA polymerase kappa, putative 0.014 0.0853 0.8216
Entamoeba histolytica transcription factor BTF3, putative 0.0038 0.0185 0.2561
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0012 0.0014 0.0002
Trypanosoma cruzi NADH dehydrogenase, putative 0.0012 0.0014 0.0001
Leishmania major trypanothione reductase 0.0135 0.082 0.7893
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0012 0.0014 0.0000023137
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0148 0.116
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0028 0.0119 0.0105
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0278 0.0264
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Brugia malayi ImpB/MucB/SamB family protein 0.0168 0.1036 0.8099
Trichomonas vaginalis DNA polymerase eta, putative 0.014 0.0853 0.5786
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0012 0.0014 0.0001
Plasmodium vivax thioredoxin reductase, putative 0.0135 0.082 1
Schistosoma mansoni transcription factor btf3 0.0038 0.0185 0.0376
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0012 0.0014 0.0001
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0012 0.0014 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Trypanosoma brucei DNA polymerase kappa, putative 0.0085 0.0492 0.4675
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.024 0.0226
Loa Loa (eye worm) hypothetical protein 0.0028 0.0118 0.082
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.024 0.2213
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0014 0.0001
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0236 0.0222
Toxoplasma gondii NAC domain-containing protein 0.0038 0.0185 0.2119
Plasmodium vivax glutathione reductase, putative 0.0135 0.082 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0253 0.0239
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0014 0.0001
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1531 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.024 0.2803
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0014 0.0000023137
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0174 0.016
Loa Loa (eye worm) hypothetical protein 0.0085 0.0491 0.377
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0027 0.0109 0.0095
Schistosoma mansoni glutamate synthase 0.0012 0.0014 0.0028
Echinococcus multilocularis expressed protein 0.0033 0.0148 0.0135
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0014 0.0000023137
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0931 0.6053 0.6048
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0027 0.0109 0.0852
Treponema pallidum NADH oxidase 0.0047 0.024 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0148 0.0927
Echinococcus granulosus dna polymerase eta 0.0168 0.1036 0.1023
Echinococcus granulosus expressed protein 0.0033 0.0148 0.0135
Brugia malayi jmjC domain containing protein 0.0034 0.0157 0.1226
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Leishmania major DNA polymerase eta, putative 0.0089 0.0519 0.4944
Toxoplasma gondii aldehyde dehydrogenase 0.0049 0.0253 0.2959
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.024 0.2213
Echinococcus multilocularis inositol monophosphatase 1 0.0032 0.0141 0.0127
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0118 0.082
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0236 0.0222
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0014 0.0109
Leishmania major basic transcription factor 3a, putative 0.0038 0.0185 0.1673
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Loa Loa (eye worm) MBCTL1 0.0053 0.0278 0.2085
Leishmania major hypothetical protein, conserved 0.0012 0.0014 0.0001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0049 0.0253 0.0239
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0125 0.0112
Leishmania major DNA damage repair protein, putative 0.0035 0.0165 0.1477
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0165 0.1477
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.054 0.0526
Leishmania major DNA polymerase kappa, putative 0.0035 0.0165 0.1477
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0014 0.0001
Trichomonas vaginalis rotamase, putative 0.0032 0.0143 0.0892
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0125 0.0255
Trypanosoma brucei DNA polymerase kappa, putative 0.0062 0.0337 0.316
Entamoeba histolytica disulphide oxidoreductase, putative 0.0012 0.0014 0.0002
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0236 0.0479
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0236 0.1753
Trypanosoma cruzi DNA polymerase eta, putative 0.0089 0.0519 0.4944
Schistosoma mansoni aldehyde dehydrogenase 0.0049 0.0253 0.0514
Trypanosoma brucei DNA polymerase IV, putative 0.014 0.0853 0.8216
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0174 0.016
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0125 0.0255
Schistosoma mansoni DNA polymerase eta 0.0168 0.1036 0.2106
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0118 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.012 0.0724 0.695
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.024 0.2213
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0114 0.0983
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0085 0.049
Plasmodium vivax SET domain protein, putative 0.0029 0.0125 0.1382
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Trichomonas vaginalis apoptosis inducing factor, putative 0.0012 0.0014 0.0001
Mycobacterium ulcerans DNA polymerase IV 0.014 0.0853 0.0841
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0278 0.0264
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0143 0.1267
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0032 0.0141 0.1241
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0118 0.1287
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0342 0.2184 0.2173
Plasmodium vivax DNA repair protein REV1, putative 0.0035 0.0165 0.187
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0148 0.1063
Loa Loa (eye worm) hypothetical protein 0.0168 0.1036 0.8078
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0114 0.1245
Plasmodium falciparum basic transcription factor 3b, putative 0.0038 0.0185 0.2119
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0165 0.1477
Entamoeba histolytica thioredoxin reductase, putative 0.0012 0.0014 0.0002
Trypanosoma cruzi DNA polymerase kappa, putative 0.014 0.0853 0.8216
Plasmodium falciparum thioredoxin reductase 0.0135 0.082 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Loa Loa (eye worm) hypothetical protein 0.0046 0.0236 0.1753
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0125 0.0255
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.012 0.0724 0.695
Echinococcus multilocularis peregrin 0.0028 0.0118 0.0104
Mycobacterium tuberculosis Conserved hypothetical protein 0.0114 0.0681 0.0668
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0253 0.0239
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.054 0.0526
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0114 0.0681 0.0668
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0012 0.0014 0.0001
Schistosoma mansoni hypothetical protein 0.0058 0.0314 0.0639
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0012 0.0014 0.0000023137
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0012 0.0014 0.0000023137
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0012 0.0014 0.0001
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0165 0.1477
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.024 0.2803
Trypanosoma brucei DNA polymerase kappa, putative 0.014 0.0853 0.8216
Loa Loa (eye worm) ICD-1 protein 0.0038 0.0185 0.1351
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0359 0.0346
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0012 0.0014 0.0109
Echinococcus multilocularis dna polymerase kappa 0.014 0.0853 0.0841
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0236 0.0222
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0053 0.0107
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0014 0.0000023137
Echinococcus granulosus glutamate synthase 0.0012 0.0014 0.0000023137
Brugia malayi latrophilin 2 splice variant baaae 0.0058 0.0314 0.2456
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0359 0.2731
Brugia malayi MH2 domain containing protein 0.0137 0.0833 0.6518
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0342 0.2184 0.7863
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0143 0.1604
Schistosoma mansoni hypothetical protein 0.028 0.1777 0.3614
Loa Loa (eye worm) hypothetical protein 0.0029 0.0125 0.0881
Leishmania major hypothetical protein, conserved 0.0012 0.0014 0.0001
Schistosoma mansoni hypothetical protein 0.0027 0.0109 0.0222
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0278 0.2172
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0315 0.2382
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0114 0.1245
Trypanosoma cruzi DNA polymerase kappa, putative 0.014 0.0853 0.8216
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.024 0.1559
Schistosoma mansoni glutamate synthase 0.0012 0.0014 0.0028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.024 0.2213
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0014 0.0028
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0012 0.0014 0.0001
Trypanosoma brucei hypothetical protein, conserved 0.0012 0.0014 0.0001
Brugia malayi beta-NAC-like protein 0.0038 0.0185 0.1445
Trypanosoma brucei trypanothione reductase 0.0135 0.082 0.7893
Mycobacterium ulcerans DNA polymerase IV 0.014 0.0853 0.0841
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0165 0.1477
Schistosoma mansoni rotamase 0.0033 0.0148 0.0302
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.024 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0143 0.1267
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0014 0.0028
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.024 0.0226
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.024 0.2213
Mycobacterium ulcerans aldehyde dehydrogenase 0.0049 0.0253 0.0239
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0032 0.0141 0.0874
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0157 0.1129
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0012 0.0014 0.0000023137
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0028 0.0119 0.038
Loa Loa (eye worm) hypothetical protein 0.0053 0.0278 0.2085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0085 0.0491 0.377
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.024 0.2213
Echinococcus multilocularis glutamate synthase 0.0012 0.0014 0.0000023137
Entamoeba histolytica hypothetical protein 0.0038 0.0185 0.2561
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.024 0.2803

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.8 uM Inhibition of human TP purified from placenta ChEMBL. 16337119
IC50 (binding) = 7.2 uM Inhibition of human TP expressed in V79 cells ChEMBL. 16337119
IC50 (binding) = 8.7 uM Inhibition of Escherichia coli TP ChEMBL. 16337119

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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