Detailed information for compound 1313914

Basic information

Technical information
  • TDR Targets ID: 1313914
  • Name: [2-oxo-2-(phenylmethylamino)ethyl] 3-furan-2- ylprop-2-enoate
  • MW: 285.295 | Formula: C16H15NO4
  • H donors: 1 H acceptors: 2 LogP: 2.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccccc1)COC(=O)/C=C/c1ccco1
  • InChi: 1S/C16H15NO4/c18-15(17-11-13-5-2-1-3-6-13)12-21-16(19)9-8-14-7-4-10-20-14/h1-10H,11-12H2,(H,17,18)/b9-8+
  • InChiKey: HEICXENIJZTYQI-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-oxo-2-(phenylmethylamino)ethyl] (E)-3-furan-2-ylprop-2-enoate
  • [2-oxo-2-(phenylmethylamino)ethyl] 3-(2-furyl)prop-2-enoate
  • [2-oxo-2-(phenylmethylamino)ethyl] (E)-3-(2-furyl)prop-2-enoate
  • 3-(2-furyl)prop-2-enoic acid [2-oxo-2-(phenylmethylamino)ethyl] ester
  • (E)-3-(2-furyl)prop-2-enoic acid [2-oxo-2-(phenylmethylamino)ethyl] ester
  • (E)-3-(2-furyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester
  • 3-(2-furyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester
  • MLS001033911
  • SMR000385788
  • ZINC05113201
  • T0518-7711

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0054 0.0317
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0503 0.17 0.4481
Wolbachia endosymbiont of Brugia malayi carbonic anhydrase 0.0043 0.0097 0.4593
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0003 0.0008
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0072 0.0199 0.0357
Brugia malayi Muscleblind-like protein 0.018 0.0576 0.1519
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1218 0.3211
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0054 0.5035
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1104 0.3794 1
Echinococcus granulosus unc 13 munc13 0.0031 0.0056 0.0146
Echinococcus granulosus myotubularin protein 13 0.0031 0.0056 0.0146
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1541 0.5318 1
Schistosoma mansoni protein kinase C mu 0.0031 0.0056 0.0056
Echinococcus multilocularis carbonic anhydrase 0.0503 0.17 0.4481
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0031 0.0056 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0056 0.0056
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0351 0.0981
Entamoeba histolytica acetyltransferase, putative 0.0075 0.0209 0.0392
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0226 0.0226
Chlamydia trachomatis sulfate transporter 0.0035 0.0068 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0003 0.0008
Echinococcus granulosus carbonic anhydrase 0.0503 0.17 0.4481
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.018 0.0576 0.148
Brugia malayi glutathione reductase 0.0046 0.0107 0.0282
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0019 0.0019
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0097 0.0257
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0226 0.0594
Schistosoma mansoni carbonic anhydrase-related 0.0503 0.17 0.17
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0003 0.0008
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0107 0.0275
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1104 0.3794 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0031 0.0056 0.0146
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0068 0.018
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0351 0.0298
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0311 0.0867
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0038 0.0099
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0226 0.0594
Echinococcus granulosus Protein kinase C brain isozyme 0.0031 0.0056 0.0146
Leishmania major trypanothione reductase 0.0046 0.0107 0.0201
Echinococcus multilocularis muscleblind protein 0.018 0.0576 0.1519
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0035 0.0068 0.0403
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0097 0.0257
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.0056 0.0146
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0006
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0054 0.0317
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Mycobacterium ulcerans integral membrane transporter 0.0035 0.0068 0.0118
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0097 0.0257
Brugia malayi diacylglycerol kinase 0.0031 0.0056 0.0146
Echinococcus multilocularis carbonic anhydrase 0.0503 0.17 0.4481
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0311 0.0867
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0549 0.1033
Loa Loa (eye worm) raf kinase 0.0883 0.3022 0.7763
Brugia malayi Ras association domain family 1 isoform A 0.0031 0.0056 0.0146
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0075 0.0209 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0126 0.0333
Schistosoma mansoni unc-13 (munc13) 0.0031 0.0056 0.0056
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0226 0.0594
Mycobacterium tuberculosis Probable reductase 0.0104 0.0311 0.0867
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0003 0.0276
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0003 0.0008
Echinococcus multilocularis Rac GTPase activating protein 1 0.0031 0.0056 0.0146
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0126 0.0333
Toxoplasma gondii thioredoxin reductase 0.0046 0.0107 0.0629
Schistosoma mansoni hypothetical protein 0.0031 0.0056 0.0056
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0038 0.0067
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0008 0.0795
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0031 0.0056 0.0146
Echinococcus granulosus protein kinase c eta type 0.0031 0.0056 0.0146
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0056 0.0056
Plasmodium falciparum thioredoxin reductase 0.0016 0.0003 0.0017
Brugia malayi Raf kinase 0.0856 0.293 0.7722
Brugia malayi hypothetical protein 0.003 0.0054 0.0142
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.0056 0.0146
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0226 0.0579
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0003 0.0224
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0351 0.0981
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0525 0.1775 0.1775
Mycobacterium ulcerans carbonic anhydrase 0.1613 0.5567 1
Schistosoma mansoni serine/threonine protein kinase 0.0887 0.3038 0.3038
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0503 0.17 0.4366
Schistosoma mansoni carbonic anhydrase 0.0503 0.17 0.17
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0503 0.17 0.4481
Entamoeba histolytica carbonic anhydrase, putative 0.1541 0.5318 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0503 0.17 0.4481
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0311 0.0219
Schistosoma mansoni protein kinase C 0.0031 0.0056 0.0056
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0107 0.0293
Loa Loa (eye worm) hypothetical protein 0.003 0.0054 0.0138
Loa Loa (eye worm) hypothetical protein 0.1133 0.3894 1
Entamoeba histolytica ankyrin, putative 0.0075 0.0209 0.0392
Echinococcus granulosus bloom syndrome protein 0.0026 0.0038 0.0099
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1104 0.3794 0.3794
Loa Loa (eye worm) RasGEF domain-containing protein 0.0031 0.0056 0.0143
Mycobacterium ulcerans carbonic anhydrase 0.1541 0.5318 0.9553
Loa Loa (eye worm) hypothetical protein 0.0021 0.0019 0.005
Trichomonas vaginalis conserved hypothetical protein 0.1613 0.5567 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0003 0.0017
Mycobacterium ulcerans glutaminase 0.033 0.1098 0.1968
Schistosoma mansoni carbonic anhydrase 0.1541 0.5318 0.5318
Schistosoma mansoni vav2 0.0031 0.0056 0.0056
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0006
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0075 0.0209 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Schistosoma mansoni hypothetical protein 0.0503 0.17 0.17
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Brugia malayi diacylglycerol kinase 0.0031 0.0056 0.0146
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0038 0.0067
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0226 0.0594
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Schistosoma mansoni atypical protein kinase C 0.0031 0.0056 0.0056
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0031 0.0056 0.0146
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.079 0.2702 0.7121
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Trichomonas vaginalis glutaminase, putative 0.033 0.1098 0.1972
Echinococcus granulosus carbonic anhydrase 0.0503 0.17 0.4481
Onchocerca volvulus Putative sulfate transporter 0.0217 0.0705 1
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0043 0.0097 0.0266
Echinococcus granulosus carbonic anhydrase 0.0503 0.17 0.4481
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1104 0.3794 1
Schistosoma mansoni diacylglycerol kinase theta 0.0031 0.0056 0.0056
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0251 0.0823 0.2307
Schistosoma mansoni carbonic anhydrase-related 0.0503 0.17 0.17
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0003 0.0017
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0031 0.0056 0.0146
Leishmania major carbonic anhydrase-like protein 0.1104 0.3794 0.7134
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0068 0.018
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0056 0.0056
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0109 0.0286
Brugia malayi glutaminase DH11.1 0.033 0.1098 0.2894
Mycobacterium leprae Probable transmembrane transport protein 0.0251 0.0823 0.1219
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1218 0.2291
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0003 0.0008
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0054 0.0142
Leishmania major carbonic anhydrase family protein, putative 0.1541 0.5318 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0054 0.0142
Mycobacterium ulcerans hypothetical protein 0.0043 0.0097 0.017
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0068 0.018
Entamoeba histolytica hypothetical protein 0.0031 0.0056 0.0104
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0351 0.0981
Entamoeba histolytica diacylglycerol kinase, putative 0.0031 0.0056 0.0104
Schistosoma mansoni rac gtpase activating protein 0.0031 0.0056 0.0056
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0503 0.17 0.4365
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0056 0.0056
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0031 0.0056 0.0056
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0226 0.0594
Echinococcus granulosus dynactin 5 p25 0.0075 0.0209 0.055
Plasmodium falciparum glutathione reductase 0.0016 0.0003 0.0017
Leishmania major hypothetical protein, conserved 0.0043 0.0097 0.0183
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0031 0.0056 0.0143
Echinococcus multilocularis muscleblind protein 1 0.018 0.0576 0.1519
Brugia malayi protein kinase C3,putative 0.0031 0.0056 0.0146
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0043 0.0097 0.0183
Trypanosoma brucei trypanothione reductase 0.0046 0.0107 0.0282
Schistosoma mansoni unc-13 (munc13) 0.0031 0.0056 0.0056
Loa Loa (eye worm) RecQ helicase 0.0026 0.0038 0.0096
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0549 0.1447
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0199 0.0357
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0003 0.0017
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Echinococcus multilocularis N chimaerin 0.0031 0.0056 0.0146
Plasmodium falciparum carbonic anhydrase 0.0503 0.17 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0132 0.0338
Onchocerca volvulus 0.0072 0.0199 0.2203
Brugia malayi C1-like domain containing protein 0.0031 0.0056 0.0146
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0828 0.2834 0.7967
Echinococcus multilocularis Diacylglycerol kinase theta 0.0031 0.0056 0.0146
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1218 0.3211
Echinococcus multilocularis unc 13 (munc13) 0.0031 0.0056 0.0146
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0027 0.0157
Echinococcus granulosus muscleblind protein 0.018 0.0576 0.1519
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0031 0.0056 0.0143
Echinococcus granulosus Rac GTPase activating protein 1 0.0031 0.0056 0.0146
Echinococcus granulosus carbonic anhydrase II 0.1104 0.3794 1
Loa Loa (eye worm) glutaminase 0.033 0.1098 0.282
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0003 0.0008
Toxoplasma gondii hypothetical protein 0.0059 0.0153 0.0898
Toxoplasma gondii hypothetical protein 0.0503 0.17 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1104 0.3794 0.9744
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0226 0.0424
Echinococcus granulosus raf serine:threonine protein kinase 0.0887 0.3038 0.8006
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0226 0.0594
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0038 0.0099
Brugia malayi Protein kinase domain containing protein 0.0031 0.0056 0.0146
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1218 0.3211
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0003 0.0005
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0166 0.0436
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0056 0.0056
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0107 0.0282
Mycobacterium ulcerans transferase 0.0072 0.0199 0.0352
Schistosoma mansoni carbonic anhydrase-related 0.0503 0.17 0.17
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0035 0.0068 0.0403
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0031 0.0056 0.0143
Giardia lamblia Hypothetical protein 0.0053 0.0132 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Echinococcus multilocularis carbonic anhydrase II 0.1104 0.3794 1
Plasmodium falciparum glutathione reductase 0.0046 0.0107 0.0629
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0003 0.0276
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0054 0.0142
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.0068 0.0118
Brugia malayi RhoGAP domain containing protein 0.0031 0.0056 0.0146
Loa Loa (eye worm) carbonic anhydrase 3 0.1104 0.3794 0.9744
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0109 0.0286
Echinococcus multilocularis myotubularin protein 13 0.0031 0.0056 0.0146
Echinococcus multilocularis protein kinase c eta type 0.0031 0.0056 0.0146
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0503 0.17 0.4481
Loa Loa (eye worm) hypothetical protein 0.0053 0.0132 0.0338
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0003 0.0008
Echinococcus granulosus Diacylglycerol kinase theta 0.0031 0.0056 0.0146
Echinococcus granulosus protein kinase c iota type 0.0031 0.0056 0.0146
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Loa Loa (eye worm) hypothetical protein 0.0503 0.17 0.4366
Brugia malayi Pleckstrin Homology Domain 0.0031 0.0056 0.0146
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.0056 0.0143
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0031 0.0056 0.0143
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0031 0.0056 0.0146
Echinococcus multilocularis raf serine:threonine protein kinase 0.0887 0.3038 0.8006
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0226 0.0424
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0003 0.0006
Loa Loa (eye worm) glutathione reductase 0.0046 0.0107 0.0275
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0031 0.0056 0.0056
Trypanosoma brucei carbonic anhydrase-like protein 0.1104 0.3794 1
Leishmania major hypothetical protein, conserved 0.003 0.0054 0.0101
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1104 0.3794 0.3794
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0003 0.0008
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1104 0.3794 1
Echinococcus multilocularis carbonic anhydrase 0.0503 0.17 0.4481
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0107 1
Schistosoma mansoni glutaminase 0.033 0.1098 0.1098
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0031 0.0056 0.0146
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0311 0.0867
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0311 0.0867
Brugia malayi hypothetical protein 0.002 0.0016 0.0043
Echinococcus multilocularis protein kinase c iota type 0.0031 0.0056 0.0146
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0075 0.0209 0.0579
Loa Loa (eye worm) glutaminase 2 0.033 0.1098 0.282
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0126 0.0333
Brugia malayi Variant SH3 domain containing protein 0.0031 0.0056 0.0146
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0003 0.0008
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0003 0.0006
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0031 0.0056 0.0146
Brugia malayi Protein kinase c protein 2 0.0031 0.0056 0.0146
Plasmodium vivax sulfate transporter, putative 0.0035 0.0068 0.6402
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0126 0.0333
Treponema pallidum NADH oxidase 0.0016 0.0003 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0109 0.0287
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0031 0.0056 0.0146
Mycobacterium ulcerans hypothetical protein 0.0192 0.0617 0.1104
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0549 0.1447
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0054 0.0317
Brugia malayi Thioredoxin reductase 0.0046 0.0107 0.0282
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143
Schistosoma mansoni protein kinase C mu 0.0031 0.0056 0.0056
Brugia malayi RhoGEF domain containing protein 0.0031 0.0056 0.0146
Plasmodium falciparum thioredoxin reductase 0.0046 0.0107 0.0629
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0503 0.17 0.4481
Loa Loa (eye worm) hypothetical protein 0.018 0.0576 0.148
Brugia malayi RhoGAP domain containing protein 0.0031 0.0056 0.0146
Brugia malayi Fibroblast growth factor family protein 0.0053 0.0132 0.0347
Schistosoma mansoni diacylglycerol kinase theta 0.0031 0.0056 0.0056
Brugia malayi Fibroblast growth factor family protein 0.0053 0.0132 0.0347
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0311 0.0867
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0008 0.0046
Entamoeba histolytica diacylglycerol kinase, putative 0.0031 0.0056 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.1613 0.5567 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0031 0.0056 0.0327
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0003 0.0017
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1036 0.3556 1
Brugia malayi protein kinase C II. 0.0031 0.0056 0.0146
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0003 0.0008
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0964 0.3307 0.93
Loa Loa (eye worm) hypothetical protein 0.0503 0.17 0.4366
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0617 0.1728
Onchocerca volvulus 0.0217 0.0705 1
Echinococcus granulosus N chimaerin 0.0031 0.0056 0.0146
Plasmodium vivax glutathione reductase, putative 0.0046 0.0107 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0109 0.0287
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.0068 0.0118
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0003 0.0008
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0031 0.0056 0.0143

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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