Detailed information for compound 875170

Basic information

Technical information
  • TDR Targets ID: 875170
  • Name: N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4 -methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]ac etamide
  • MW: 415.415 | Formula: C21H22FN3O5
  • H donors: 1 H acceptors: 3 LogP: 1.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1C(CC(=O)Nc2cccc(c2)F)C(=O)N(C1=O)c1ccc(cc1)OC
  • InChi: 1S/C21H22FN3O5/c1-29-11-10-24-18(13-19(26)23-15-5-3-4-14(22)12-15)20(27)25(21(24)28)16-6-8-17(30-2)9-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,26)
  • InChiKey: GMAQBZVZFHAYQW-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxo-imidazolidin-4-yl]acetamide
  • N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxo-4-imidazolidinyl]acetamide
  • 2-[2,5-diketo-3-(2-methoxyethyl)-1-(4-methoxyphenyl)imidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
  • N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxo-imidazolidin-4-yl]ethanamide
  • BAS 13694471
  • MLS001208993
  • N-(3-Fluoro-phenyl)-2-[3-(2-methoxy-ethyl)-1-(4-methoxy-phenyl)-2,5-dioxo-imidazolidin-4-yl]-acetamide
  • SMR000525106
  • STK196641

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0098 0.3337
Loa Loa (eye worm) hypothetical protein 0.0032 0.0166 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0086 0.0523
Loa Loa (eye worm) animal heme peroxidase 0.0025 0.0117 0.0731
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0056
Trichomonas vaginalis set domain proteins, putative 0.0253 0.1715 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0403 0.2775 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0584 0.0768
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0166 0.1208
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0086 0.0624
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0086 0.0523
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0086 0.0624
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0098 0.3337
Trypanosoma brucei trypanothione reductase 0.004 0.0221 1
Brugia malayi Animal haem peroxidase family protein 0.0025 0.0117 0.0731
Loa Loa (eye worm) animal heme peroxidase 0.0025 0.0117 0.0731
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0008 0.0058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0023 0.0167
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0166 0.1208
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0186 0.1348
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0008 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0086 0.0523
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0225 0.1634
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0086 0.0624
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.1208
Brugia malayi Animal haem peroxidase family protein 0.0025 0.0117 0.0731
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Brugia malayi Blistered cuticle protein 3 0.0025 0.0117 0.0731
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0016 0.0056
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0153 0.0973
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0075 0.0227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0086 0.0523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0086 0.0523
Brugia malayi Animal haem peroxidase family protein 0.0025 0.0117 0.0731
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0008 0.0058
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0186 0.1192
Loa Loa (eye worm) blistered cuticle protein 3 0.0025 0.0117 0.0731
Loa Loa (eye worm) beta-lactamase 0.0035 0.0186 0.1192
Plasmodium falciparum glutathione reductase 0.004 0.0221 1
Brugia malayi hypothetical protein 0.0011 0.0016 0.0056
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0098 0.0713
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0186 0.021
Onchocerca volvulus 0.0035 0.0186 0.1041
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.0584 0.0571
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0086 0.0523
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0016 0.0056
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.15 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0186 0.021
Schistosoma mansoni peroxidasin 0.0025 0.0117 0.085
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0221 0.0259
Schistosoma mansoni peroxidasin 0.0025 0.0117 0.085
Mycobacterium tuberculosis Conserved protein 0.0035 0.0186 0.021
Schistosoma mansoni coup transcription factor 0.0021 0.0086 0.0624
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0403 0.2775 0.2748
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1027 0.7164 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0086 0.0624
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0166 0.0475
Trichomonas vaginalis MYB72, putative 0.0019 0.0074 0.0224
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0086 0.0523
Onchocerca volvulus Peroxidase homolog 0.0025 0.0117 0.0639
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0008 0.0058
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0036 0.0265
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.1208
Toxoplasma gondii ABC1 family protein 0.0035 0.0186 0.0545
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0086 0.0523
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0098 0.0062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0086 0.0624
Mycobacterium ulcerans lipase LipD 0.0035 0.0186 0.015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0584 0.0768
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0086 0.0457
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Schistosoma mansoni hypothetical protein 0.0012 0.0023 0.0167
Brugia malayi glutathione reductase 0.004 0.0221 0.143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0166 0.1208
Brugia malayi ecdysteroid receptor 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0056
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0086 0.0624
Trichomonas vaginalis esterase, putative 0.0035 0.0186 0.089
Echinococcus multilocularis cpg binding protein 0.0032 0.0166 0.1201
Mycobacterium tuberculosis Probable reductase 0.0092 0.0584 0.0768
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0086 0.0624
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0086 0.0523
Leishmania major hypothetical protein, conserved 0.0035 0.0186 0.8075
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.143 1 1
Trichomonas vaginalis C-MYB, putative 0.0019 0.0074 0.0224
Leishmania major trypanothione reductase 0.004 0.0221 1
Loa Loa (eye worm) animal heme peroxidase 0.0025 0.0117 0.0731
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0098 0.3337
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.0656 0.0869
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0086 0.0624
Brugia malayi Peroxidasin 0.0025 0.0117 0.0731
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0098 0.0368
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1519 0.208
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0013 0.0095
Onchocerca volvulus Peroxidasin homolog 0.0025 0.0117 0.0639
Schistosoma mansoni cpg binding protein 0.0032 0.0166 0.1201
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0186 0.021
Brugia malayi Thioredoxin reductase 0.004 0.0221 0.143
Mycobacterium ulcerans hypothetical protein 0.0035 0.0186 0.015
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0186 0.1192
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Loa Loa (eye worm) glutathione reductase 0.004 0.0221 0.143
Leishmania major hypothetical protein, conserved 0.0027 0.0127 0.4894
Brugia malayi beta-lactamase family protein 0.0035 0.0186 0.1192
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0584 0.0768
Brugia malayi nuclear hormone receptor 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0086 0.0523
Brugia malayi hypothetical protein 0.0017 0.006 0.0349
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0086 0.0624
Brugia malayi Pre-SET motif family protein 0.0222 0.15 1
Onchocerca volvulus 0.0025 0.0117 0.0639
Toxoplasma gondii exonuclease III APE 0.0023 0.0098 0.0225
Onchocerca volvulus 0.0153 0.1015 0.5895
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.0656 0.0869
Onchocerca volvulus 0.0025 0.0117 0.0639
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0186 0.8075
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0186 0.021
Onchocerca volvulus 0.0035 0.0186 0.1041
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0086 0.0624
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0086 0.0624
Schistosoma mansoni hypothetical protein 0.0205 0.1378 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Echinococcus granulosus cpg binding protein 0.0032 0.0166 0.1201
Mycobacterium tuberculosis Conserved protein 0.0035 0.0186 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0086 0.0523
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0086 0.0624
Onchocerca volvulus Peroxidasin homolog 0.0025 0.0117 0.0639
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0008 0.0058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0008 0.0058
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0086 0.0457
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0127 0.4894
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0086 0.0624
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0008 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0086 0.0523
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0186 0.089
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0086 0.0523
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0086 0.0523
Brugia malayi steroid hormone receptor 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Brugia malayi Animal haem peroxidase family protein 0.0025 0.0117 0.0731
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0086 0.0624
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0186 0.8075
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0186 0.015
Brugia malayi nuclear receptor RXR 0.0011 0.0016 0.0056
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0086 0.0624
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0086 0.0624
Onchocerca volvulus 0.0031 0.0153 0.0851
Brugia malayi hypothetical protein 0.0153 0.1015 0.6745
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0098 1
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0403 0.2775 0.2748
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0086 0.0523
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0086 0.0523
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0186 0.021
Onchocerca volvulus 0.0025 0.0117 0.0639
Plasmodium vivax SET domain protein, putative 0.0032 0.0166 0.7027
Schistosoma mansoni ap endonuclease 0.0023 0.0098 0.0713
Onchocerca volvulus 0.0021 0.0086 0.0457
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0008 0.0058
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0086 0.0624
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.143 1 1
Schistosoma mansoni nuclear receptor 0.001 0.0008 0.0058
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0036 0.0265
Toxoplasma gondii thioredoxin reductase 0.004 0.0221 0.0675
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0166 0.1208
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.001 0.0016
Mycobacterium ulcerans beta-lactamase 0.0035 0.0186 0.015
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0019 0.0075 0.0139
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.143 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0127 0.4894
Schistosoma mansoni ap endonuclease 0.0023 0.0098 0.0713
Echinococcus multilocularis geminin 0.0205 0.1378 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0086 0.0523
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0402 0.292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0086 0.0523
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0013 0.0095
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0166 0.1208
Brugia malayi hypothetical protein 0.0025 0.0117 0.0731
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0127 0.4894
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0075 0.0227
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0186 0.015
Plasmodium falciparum thioredoxin reductase 0.004 0.0221 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0186 0.1348
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0086 0.0457
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0186 0.089
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0186 0.089
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0186 0.8075
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0008 0.0058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Schistosoma mansoni nuclear hormone receptor 0.001 0.0008 0.0058
Plasmodium vivax glutathione reductase, putative 0.004 0.0221 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0098 0.0062
Onchocerca volvulus 0.0032 0.0166 0.0928
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Echinococcus granulosus geminin 0.0205 0.1378 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.0656 0.0674
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1027 0.7164 1
Onchocerca volvulus 0.0035 0.0186 0.1041
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0008 0.0058
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0186 0.021
Onchocerca volvulus Peroxidase homolog 0.0025 0.0117 0.0639
Brugia malayi Pre-SET motif family protein 0.0032 0.0166 0.1062
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0016 0.0119
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0403 0.2775 0.3711
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0086 0.0624
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0127 0.4894
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0127 0.0331
Onchocerca volvulus Dual oxidase homolog 0.0025 0.0117 0.0639
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0086 0.0624
Trichomonas vaginalis pc-MYB2, putative 0.0019 0.0074 0.0224
Onchocerca volvulus Chorion peroxidase homolog 0.0025 0.0117 0.0639
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0086 0.0624
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0098 0.0604
Brugia malayi Animal haem peroxidase family protein 0.0025 0.0117 0.0731
Brugia malayi beta-lactamase family protein 0.0035 0.0186 0.1192
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0008 0.0058
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0023 0.0167
Giardia lamblia Myb 1-like protein 0.0019 0.0075 0.6183
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0086 0.0624
Schistosoma mansoni cpg binding protein 0.0032 0.0166 0.1201
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0013 0.0034
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0186 0.021
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0584 0.0768
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0086 0.0523
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0008 0.0058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0086 0.0624
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0016 0.0119
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0221 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0086 0.0624
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0086 0.0624
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0086 0.0624
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0186 0.089
Brugia malayi CXXC zinc finger family protein 0.0031 0.0153 0.0973
Trichomonas vaginalis MYB, putative 0.0019 0.0075 0.0227
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0127 0.4894
Brugia malayi beta-lactamase 0.0035 0.0186 0.1192
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0008 0.0058
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0086 0.0624
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0186 0.1348
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0186 0.1348
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0086 0.0624
Schistosoma mansoni nuclear receptor 0.001 0.0008 0.0058
Echinococcus granulosus peroxidasin 0.0025 0.0117 0.085
Trichomonas vaginalis MYB3r3, putative 0.0019 0.0074 0.0224
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0221 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0016 0.0119
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0098 0.3337
Brugia malayi hypothetical protein 0.0011 0.0016 0.0056
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0154 0.1114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0008 0.0058
Schistosoma mansoni cpg binding protein 0.0031 0.0153 0.1112
Mycobacterium tuberculosis Conserved protein 0.0035 0.0186 0.021
Schistosoma mansoni hypothetical protein 0.0205 0.1378 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0098 0.3337
Onchocerca volvulus 0.0253 0.1715 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0127 0.0797
Loa Loa (eye worm) hypothetical protein 0.0021 0.0086 0.0523
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0098 1
Trichomonas vaginalis pc-MYB2, putative 0.0019 0.0074 0.0224
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0012 0.0028
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0098 0.0087
Schistosoma mansoni zinc finger protein 0.001 0.0008 0.0058
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0584 0.0768
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.0656 0.0869
Schistosoma mansoni nuclear hormone receptor 0.001 0.0008 0.0058
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0056
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0098 0.0062
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0127 0.4894
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0016 0.0056
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0086 0.0624
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0098 0.0368
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.001 0.0016
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0221 0.143
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0098 0.0713
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0225 0.1634
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0086 0.0624
Brugia malayi hypothetical protein 0.0027 0.0127 0.0797
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0086 0.0523
Echinococcus multilocularis peroxidasin 0.0025 0.0117 0.085
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0098 0.0604
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0086 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0086 0.0523
Loa Loa (eye worm) hypothetical protein 0.0025 0.0117 0.0731
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Brugia malayi nuclear receptor NHR-88 0.0021 0.0086 0.0523
Loa Loa (eye worm) animal heme peroxidase 0.0025 0.0117 0.0731
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0008 0.0058
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0036 0.0265
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0354 0.1158
Loa Loa (eye worm) hypothetical protein 0.0153 0.1015 0.6745
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0036 0.0191
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0098 0.3337
Loa Loa (eye worm) hypothetical protein 0.0035 0.0186 0.1192
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0019 0.0074 0.0224
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0186 0.8075
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0186 0.089
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0086 0.0624
Trichomonas vaginalis C-MYB, putative 0.0019 0.0074 0.0224
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0016 0.0119

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 0.92 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.5193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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