Detailed information for compound 1412825

Basic information

Technical information
  • TDR Targets ID: 1412825
  • Name: 1-hydroxy-2-(4-morpholin-4-ylsulfonylphenyl)- 4H-1,2,4-benzotriazin-3-one
  • MW: 390.414 | Formula: C17H18N4O5S
  • H donors: 2 H acceptors: 4 LogP: 1.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2ccccc2n(n1c1ccc(cc1)S(=O)(=O)N1CCOCC1)O
  • InChi: 1S/C17H18N4O5S/c22-17-18-15-3-1-2-4-16(15)21(23)20(17)13-5-7-14(8-6-13)27(24,25)19-9-11-26-12-10-19/h1-8,23H,9-12H2,(H,18,22)
  • InChiKey: DSTBDSBKYGCGNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-hydroxy-2-(4-morpholinosulfonylphenyl)-4H-1,2,4-benzotriazin-3-one
  • 1-hydroxy-2-[4-(morpholin-4-ylsulfonyl)phenyl]-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
  • MLS000586465
  • SMR000207844

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0162 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0261 0.024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0424 0.0912
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0931 0.222
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0559 0.0539
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.0261 0.024
Brugia malayi follicle stimulating hormone receptor 0.0246 0.3601 0.3601
Mycobacterium ulcerans beta-lactamase 0.0073 0.0931 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.1826 0.1809
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0093 0.0093
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.1537 0.2121
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.007 0.0034
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0021 0.0021
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.008 0.0059
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0026
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.395 0.3937
Trypanosoma brucei trypanothione reductase 0.0049 0.0565 0.0516
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0938 0.0891
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0286 0.0286
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0661 1 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0246 0.3597 0.3564
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0261 0.0261
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0129 0.0108
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0661 1 1
Brugia malayi Bromodomain containing protein 0.004 0.0421 0.0421
Echinococcus multilocularis lamin 0.0058 0.0702 0.0682
Brugia malayi Pre-SET motif family protein 0.0031 0.0286 0.0286
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0261 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0261 0.024
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0424 0.039
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.1826 0.1809
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.0931 0.0883
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0565 0.0716
Onchocerca volvulus 0.0031 0.0286 0.0738
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0093 0.0041
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.2281 0.2264
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.1537 0.8592
Toxoplasma gondii fructose-bisphospatase I 0.0246 0.3597 0.3575
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.0261 0.0669
Brugia malayi ecdysteroid receptor 0.0029 0.0261 0.0261
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0093 0.0041
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0093 0.0034
Brugia malayi Cytochrome P450 family protein 0.0023 0.0162 0.0162
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0424 0.0373
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0246 0.3597 0.3575
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.2525 0.6983
Schistosoma mansoni coup transcription factor 0.0029 0.0261 0.024
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0931 0.222
Schistosoma mansoni zinc finger protein 0.0016 0.0052 0.0031
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0047 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0261 0.0261
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.007 0.0352
Schistosoma mansoni hypothetical protein 0.0021 0.0138 0.0117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0571 0.0551
Brugia malayi glutathione reductase 0.0049 0.0565 0.0565
Brugia malayi PHD-finger family protein 0.0026 0.0207 0.0207
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.0931 0.1245
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0077 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0047 0.0047
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0931 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0661 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.0931 0.0931
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.0938 0.0919
Loa Loa (eye worm) hypothetical protein 0.0074 0.0941 0.0922
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0261 0.024
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0661 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0129 0.168
Schistosoma mansoni lamin 0.0058 0.0702 0.0682
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.007 0.0018
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0108 0.0764
Schistosoma mansoni hypothetical protein 0.0365 0.543 0.542
Brugia malayi nuclear receptor NHR-67 0.0014 0.0021 0.0021
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0424 0.0373
Echinococcus granulosus lamin 0.0058 0.0702 0.0682
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Trichomonas vaginalis esterase, putative 0.0073 0.0931 0.222
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0261 0.024
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0565 0.0516
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0931 0.0883
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0093 0.0072
Echinococcus granulosus bloom syndrome protein 0.0022 0.0149 0.0128
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0093 0.0072
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0129 1
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0261 0.024
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0093 0.0058
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.008 0.0059
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.009 0.0069
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0931 0.0912
Toxoplasma gondii thioredoxin reductase 0.0049 0.0565 0.0532
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0931 0.222
Echinococcus multilocularis geminin 0.0365 0.543 0.542
Toxoplasma gondii exonuclease III APE 0.0021 0.0129 0.0094
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0246 0.3597 0.3564
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.173 0.24
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0261 0.024
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0028 0.0239 0.0218
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0571 0.0551
Plasmodium vivax SET domain protein, putative 0.0031 0.0286 0.2772
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0093 0.0072
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.3146 0.3131
Leishmania major 0.0661 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0169 0.0148
Mycobacterium tuberculosis Conserved protein 0.0073 0.0931 0.1245
Brugia malayi ecdysone receptor 0.0014 0.0021 0.0021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0571 0.0551
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.0931 0.1245
Onchocerca volvulus 0.0073 0.0931 0.2538
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.0931 0.1245
Echinococcus granulosus geminin 0.0365 0.543 0.542
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0031
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.0931 0.1245
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0286 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0261 0.0261
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0559 0.0539
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.007 0.0018
Brugia malayi hypothetical protein 0.0016 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.004 0.0422 0.0402
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0093 0.0058
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0129 0.0108
Mycobacterium ulcerans lipase LipD 0.0073 0.0931 1
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0149 0.0128
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0424 0.364
Brugia malayi hypothetical protein 0.0016 0.0047 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0261 0.0261
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.0931 0.1245
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0261 0.0261
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0093 0.0474
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0268 0.0248
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0047 0.0047
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.1537 0.2121
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0093 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0261 0.0261
Echinococcus granulosus lamin dm0 0.0058 0.0702 0.0682
Brugia malayi intermediate filament protein 0.0058 0.0702 0.0702
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.0261 0.0669
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0129 0.0077
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.0261 0.024
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.3601 0.3588
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0129 0.0108
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0093 0.0041
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0021 0.0021
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.0931 1
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0021 0.0021
Onchocerca volvulus 0.0247 0.3607 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.0931 0.0912
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0286 0.0265
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0129 0.0077
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0286 0.0266
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0424 0.0403
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.1537 0.2121
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0424 0.0373
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0559 0.0539
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0261 0.0261
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0093 0.0041
Loa Loa (eye worm) hypothetical protein 0.0178 0.2546 0.253
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0462 0.0442
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0129 0.0153
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.0931 0.0912
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.007 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0261 0.024
Leishmania major trypanothione reductase 0.0049 0.0565 0.0516
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0286 0.0265
Loa Loa (eye worm) hypothetical protein 0.0027 0.0222 0.0202
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.0931 0.222
Trichomonas vaginalis set domain proteins, putative 0.0247 0.3607 0.9116
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0261 0.024
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.007 0.0049
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0047 0.0026
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0021 0.0021
Schistosoma mansoni zinc finger protein 0.002 0.0121 0.01
Onchocerca volvulus 0.0073 0.0931 0.2538
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0931 0.0883
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0093 0.0072
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.0261 0.024
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.395 0.395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0765 0.0745
Loa Loa (eye worm) hypothetical protein 0.0042 0.046 0.044
Brugia malayi nuclear receptor RXR 0.0014 0.0021 0.0021
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0047 0.0026
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.0931 0.0912
Schistosoma mansoni intermediate filament proteins 0.0058 0.0702 0.0682
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0239 0.0218
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.0938 0.0938
Onchocerca volvulus 0.0073 0.0931 0.2538
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0466 0.6989 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0261 0.0261
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.0261 0.024
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.007 0.0049
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0661 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0261 0.0261
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.173 0.24
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Brugia malayi beta-lactamase family protein 0.0073 0.0931 0.0931
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.008 0.0059
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0559 0.0539
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0129 0.12
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0571 0.0551
Schistosoma mansoni bromodomain containing protein 0.0066 0.0822 0.0803
Onchocerca volvulus 0.0058 0.0702 0.1898
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0424 0.0912
Mycobacterium tuberculosis Conserved protein 0.0073 0.0931 0.1245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.0261 0.024
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.0261 0.024
Schistosoma mansoni hypothetical protein 0.0365 0.543 0.542
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0261 0.0261
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0129 0.0077
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0021 0.0021
Loa Loa (eye worm) glutathione reductase 0.0049 0.0565 0.0545
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0261 0.024
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0149 0.0205
Brugia malayi nuclear receptor NHR-88 0.0029 0.0261 0.0261
Schistosoma mansoni thyroid hormone receptor 0.0161 0.2281 0.2264
Brugia malayi tailless protein 0.0014 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0027 0.0222 0.0202
Brugia malayi isocitrate dehydrogenase 0.0019 0.0093 0.0093
Leishmania major hypothetical protein, conserved 0.0073 0.0931 0.0883
Plasmodium falciparum glutathione reductase 0.0049 0.0565 1
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0261 0.024
Loa Loa (eye worm) hypothetical protein 0.0073 0.0931 0.0912
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0661 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0129 0.0077
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.0938 0.0919
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.0261 0.024
Schistosoma mansoni inositol monophosphatase 0.004 0.0424 0.0403
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0149 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.2672 0.6706
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.0261 0.024
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0129 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0261 0.024
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0026
Toxoplasma gondii ABC1 family protein 0.0073 0.0931 0.0899
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0047 0.0026
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0021 0.0021
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0424 1
Brugia malayi hypothetical protein 0.0014 0.0021 0.0021
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0129 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0571 0.0571
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0565 0.0545
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.0931 0.0912
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.007 0.0018
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.007 0.0018
Schistosoma mansoni inositol monophosphatase 0.004 0.0424 0.0403
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.0931 0.222
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0026
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Onchocerca volvulus 0.0178 0.2546 0.7041
Echinococcus granulosus intermediate filament protein 0.0058 0.0702 0.0682
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0424 0.0912
Toxoplasma gondii fructose-bisphospatase II 0.0661 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.007 0.0352
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Onchocerca volvulus 0.0029 0.0261 0.0669
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.008 0.0059
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.0931 0.1245
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.173 0.24
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0049 0.0559 0.0539
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0661 1 1
Mycobacterium leprae conserved hypothetical protein 0.0073 0.0931 0.4171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0571 0.0551
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0261 0.024
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0938 0.0891
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0261 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.0261 0.024
Brugia malayi hypothetical protein 0.0178 0.2546 0.2546
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0261 0.024
Brugia malayi Thioredoxin reductase 0.0049 0.0565 0.0565
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0093 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0261 0.024
Loa Loa (eye worm) hypothetical protein 0.0044 0.0491 0.0471
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.007 0.0018
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0383 0.0363
Schistosoma mansoni ap endonuclease 0.0021 0.0129 0.0108
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0169 0.0148
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0565 0.0545
Onchocerca volvulus 0.0058 0.0702 0.1898
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0261 0.024
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0138 0.0117
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.0261 0.024
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.0938 0.0891
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0261 0.024
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0129 0.1018
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0261 0.024
Loa Loa (eye worm) hypothetical protein 0.0057 0.0685 0.0666
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0702 0.0702
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0026
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0565 0.0545
Brugia malayi beta-lactamase family protein 0.0073 0.0931 0.0931
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0093 0.0072
Brugia malayi Pre-SET motif family protein 0.0217 0.3146 0.3146
Loa Loa (eye worm) RecQ helicase 0.0022 0.0149 0.0128
Mycobacterium tuberculosis Probable reductase 0.0112 0.1537 0.2121
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0261 0.0261
Schistosoma mansoni hypothetical protein 0.0131 0.1826 0.1809
Echinococcus multilocularis lamin dm0 0.0058 0.0702 0.0682
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0424 0.0373
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.0938 0.0891
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0383 0.0363
Brugia malayi beta-lactamase 0.0073 0.0931 0.0931
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.0938 1
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0261 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0261 0.0261
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0093 0.0615
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0261 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.2672 0.6706
Echinococcus granulosus FTZ F1 alpha 0.0029 0.0261 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Schistosoma mansoni ap endonuclease 0.0021 0.0129 0.0108
Loa Loa (eye worm) hypothetical protein 0.0029 0.0261 0.024
Schistosoma mansoni lamin 0.0058 0.0702 0.0682
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0239 0.0218
Brugia malayi hypothetical protein 0.0014 0.0021 0.0021
Schistosoma mansoni thyroid hormone receptor 0.0161 0.2281 0.2264
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0129 0.0691
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.173 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0059
Echinococcus granulosus zinc finger protein 0.002 0.0121 0.01
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0765 0.0745
Loa Loa (eye worm) beta-lactamase 0.0073 0.0931 0.0912
Brugia malayi nuclear receptor NHR-88 0.0014 0.0021 0.0021
Mycobacterium ulcerans hypothetical protein 0.0073 0.0931 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0702 0.0682
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.0931 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0093 0.0072
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.0938 0.0919
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0129 0.0129
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0359 0.0418
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0565 0.5904
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0246 0.3597 0.3564
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0169 0.0148
Brugia malayi Bromodomain containing protein 0.0078 0.101 0.101
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.395 1
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.0931 0.1245
Echinococcus multilocularis musashi 0.0058 0.0702 0.0682
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.007 0.0018
Brugia malayi Inositol-1 0.004 0.0424 0.0424
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.007 0.007
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.1537 0.2121
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.007 0.0034
Mycobacterium tuberculosis Conserved protein 0.0073 0.0931 0.1245
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.1537 0.2121
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0261 0.0261
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0571 0.0551
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.0261 0.024
Brugia malayi nuclear hormone receptor 0.0014 0.0021 0.0021
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.007 0.0018
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0286 0.0251
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.007 0.0049
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.007 0.5
Plasmodium vivax glutathione reductase, putative 0.0049 0.0565 0.5904
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Plasmodium falciparum thioredoxin reductase 0.0049 0.0565 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0129 0.0086
Schistosoma mansoni hypothetical protein 0.0061 0.0744 0.0725
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0093 0.0072
Brugia malayi nuclear receptor RXR 0.0016 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0058 0.0702 0.0682
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0149 0.0149
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0462 0.0442
Brugia malayi conserved hypotetical protein 0.0014 0.0021 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0571 0.0551
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.0261 0.024
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0424 0.411
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.0261 0.024
Brugia malayi steroid hormone receptor 0.0029 0.0261 0.0261
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2525 0.6328
Mycobacterium leprae Probable lipase LipE 0.0073 0.0931 0.4171
Loa Loa (eye worm) inositol-1 0.004 0.0424 0.0403
Brugia malayi nuclear hormone receptor 0.0029 0.0261 0.0261
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0047 0.0026
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0424 0.0403
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.0938 0.0919
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0702 0.0682
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0026
Echinococcus multilocularis zinc finger protein 0.002 0.0121 0.01
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.0261 0.0669
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0261 0.024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0571 0.0551

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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