Detailed information for compound 1390398

Basic information

Technical information
  • TDR Targets ID: 1390398
  • Name: 1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiper azin-1-yl)sulfonylethyl]pyrrolidine-3-carboxa mide
  • MW: 486.584 | Formula: C24H30N4O5S
  • H donors: 1 H acceptors: 4 LogP: 1.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CC(CC1=O)C(=O)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C24H30N4O5S/c1-33-22-9-7-21(8-10-22)28-18-19(17-23(28)29)24(30)25-11-16-34(31,32)27-14-12-26(13-15-27)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,25,30)
  • InChiKey: CPXHMXFSONYXHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-methoxyphenyl)-5-oxo-N-[2-[(4-phenyl-1-piperazinyl)sulfonyl]ethyl]-3-pyrrolidinecarboxamide
  • 5-keto-1-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
  • G678-0667
  • NCGC00133218-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Brugia malayi exodeoxyribonuclease III family protein 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
Toxoplasma gondii exonuclease III APE 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
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Trichomonas vaginalis ap endonuclease, 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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) hypothetical protein 0.0112 0.0753 0.1374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Loa Loa (eye worm) latrophilin receptor protein 2 0.0102 0.0654 0.1194
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Echinococcus granulosus expressed conserved protein 0.0112 0.0747 0.0747
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0753 0.1328
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.0753 0.1374
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Mycobacterium leprae Probable transmembrane transport protein 0.0254 0.208 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0814 0.5507
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0289 0.0284
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0036 0.0039 0.0032
Brugia malayi 6-phosphofructokinase 0.0117 0.0801 0.1453
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0111 0.0744 0.1349
Mycobacterium tuberculosis Probable hydrolase 0.0112 0.0753 0.0775
Brugia malayi Inositol-1 0.0038 0.0055 0.0086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0856 0.0856
Loa Loa (eye worm) hypothetical protein 0.0094 0.0584 0.1065
Onchocerca volvulus 0.022 0.1761 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.0801 0.1462
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0151 0.1117 0.1998
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Mycobacterium ulcerans carbonic anhydrase 0.0053 0.02 0.0169
Echinococcus multilocularis GPCR, family 2 0.0102 0.0654 0.0653
Echinococcus granulosus GPCR family 2 0.0102 0.0654 0.0653
Plasmodium vivax hypothetical protein, conserved 0.0112 0.0753 1
Loa Loa (eye worm) transcription factor SMAD2 0.0264 0.2172 0.3971
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Loa Loa (eye worm) hypothetical protein 0.0102 0.0654 0.1194
Giardia lamblia GTOR 0.019 0.1479 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Loa Loa (eye worm) hypothetical protein 0.0036 0.0039 0.0068
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0289 0.0284
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0055 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0894 0.0894
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0055 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0055 0.0048
Mycobacterium tuberculosis Probable esterase LipL 0.0112 0.0753 0.0775
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.1479 0.2695
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.019 0.1479 0.2663
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0289 0.1072
Loa Loa (eye worm) hypothetical protein 0.0111 0.0739 0.1349
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0039 0.0015
Echinococcus multilocularis neuropeptide s receptor 0.0489 0.4275 0.4312
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0832 0.1509
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0151 0.1117 0.1963
Onchocerca volvulus 0.0112 0.0753 0.4249
Plasmodium vivax sulfate transporter, putative 0.0035 0.0031 0.0416
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.0753 0.0753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0112 0.0753 0.0724
Loa Loa (eye worm) hypothetical protein 0.0039 0.0065 0.0115
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0814 0.1478
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
Loa Loa (eye worm) phosphatidylinositol 3 0.019 0.1479 0.2702
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0036 0.0039 0.0058
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.019 0.1479 0.2663
Schistosoma mansoni carbonic anhydrase 0.0053 0.02 0.0352
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.019 0.1479 0.2695
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.0801 0.1453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.018 0.018
Echinococcus multilocularis protein patched 0.0051 0.018 0.0174
Brugia malayi beta-lactamase family protein 0.0112 0.0753 0.1365
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.0753 0.0753
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1049 0.9503 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0289 0.0285
Plasmodium falciparum carbonic anhydrase 0.032 0.2695 1
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Entamoeba histolytica protein kinase rad3, putative 0.0036 0.0039 0.0266
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.0039 0.0058
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0717 0.6407 0.6735
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0102 0.0654 0.0653
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.018 0.0326
Brugia malayi MH2 domain containing protein 0.0264 0.2172 0.3965
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Toxoplasma gondii FATC domain-containing protein 0.0036 0.0039 0.0146
Loa Loa (eye worm) hypothetical protein 0.0051 0.018 0.0326
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Brugia malayi hypothetical protein 0.0094 0.0584 0.1055
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0064 0.0299 0.0533
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0055 0.0371
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.0753 0.0753
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.032 0.2695 0.4923
Brugia malayi CHE-14 protein 0.0051 0.018 0.0316
Brugia malayi latrophilin 2 splice variant baaae 0.022 0.1758 0.3207
Echinococcus multilocularis neuropeptide receptor A26 0.0489 0.4275 0.4312
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Brugia malayi phosphofructokinase 0.0117 0.0801 0.1453
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.0753 0.0753
Trichomonas vaginalis conserved hypothetical protein 0.1102 1 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0078 0.0078
Echinococcus granulosus carbonic anhydrase II 0.0617 0.5465 0.5515
Leishmania major hypothetical protein, conserved 0.0112 0.0753 0.129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0289 0.0432
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.0801 0.3796
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.019 0.1479 0.2631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0754 0.0754
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1291 0.1297
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Echinococcus granulosus geminin 0.0175 0.1337 0.1343
Schistosoma mansoni hypothetical protein 0.032 0.2695 0.4923
Schistosoma mansoni hypothetical protein 0.0175 0.1337 0.2435
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0055 0.0204
Loa Loa (eye worm) beta-lactamase 0.0112 0.0753 0.1374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.019 0.1479 0.2631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Onchocerca volvulus 0.0112 0.0753 0.4249
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0254 0.208 0.2174
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0814 0.0815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.0801 0.1416
Toxoplasma gondii target of rapamycin (TOR), putative 0.0141 0.1024 0.3799
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0112 0.0753 0.0775
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0055 0.0055
Chlamydia trachomatis sulfate transporter 0.0035 0.0031 1
Schistosoma mansoni eyes absent homolog 0.0094 0.0584 0.1055
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Onchocerca volvulus Putative sulfate transporter 0.022 0.1761 1
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0753 0.1328
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0035 0.0031 0.0116
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0008 0.001
Mycobacterium leprae conserved hypothetical protein 0.0112 0.0753 0.3563
Echinococcus multilocularis tumor protein p63 0.1092 0.9904 1
Echinococcus granulosus neuropeptide receptor A26 0.0489 0.4275 0.4312
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Brugia malayi beta-lactamase 0.0112 0.0753 0.1365
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Loa Loa (eye worm) hypothetical protein 0.022 0.1758 0.3214
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0102 0.0654 0.0653
Loa Loa (eye worm) MH2 domain-containing protein 0.0264 0.2172 0.3971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.0801 0.1416
Schistosoma mansoni inositol monophosphatase 0.0038 0.0055 0.0086
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.0801 1
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.0801 0.1379
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.0753 0.1328
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0036 0.0039 0.0032
Leishmania major carbonic anhydrase-like protein 0.0617 0.5465 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.018 0.0174
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0079 0.0441 0.0754
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0039 0.0039
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0617 0.5465 1
Brugia malayi beta-lactamase family protein 0.0112 0.0753 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Mycobacterium ulcerans hypothetical protein 0.0112 0.0753 0.0724
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.032 0.2695 0.4923
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0102 0.0654 0.1185
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Echinococcus multilocularis protein dispatched 1 0.0058 0.0248 0.0242
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0322 0.2709 0.4949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Leishmania major carbonic anhydrase family protein, putative 0.0053 0.02 0.0268
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0617 0.5465 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0814 0.0815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0039 0.0039
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0055 0.0055
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0617 0.5465 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0062 0.0287 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Loa Loa (eye worm) hypothetical protein 0.0322 0.2709 0.4954
Brugia malayi 6-phosphofructokinase 0.0117 0.0801 0.1453
Brugia malayi Calcitonin receptor-like protein seb-1 0.0322 0.2709 0.4949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.0753 0.0753
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.0753 0.1365
Loa Loa (eye worm) carbonic anhydrase 3 0.0617 0.5465 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0617 0.5465 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.018 0.0174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0036 0.0039 0.0015
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Mycobacterium ulcerans beta-lactamase 0.0112 0.0753 0.0724
Loa Loa (eye worm) hypothetical protein 0.004 0.0078 0.0138
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.019 0.1479 0.1486
Mycobacterium tuberculosis Probable lipase LipD 0.0112 0.0753 0.0775
Schistosoma mansoni carbonic anhydrase 0.032 0.2695 0.4923
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0111 0.0739 0.1349
Loa Loa (eye worm) inositol-1 0.0038 0.0055 0.0096
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Echinococcus multilocularis expressed conserved protein 0.0112 0.0747 0.0747
Loa Loa (eye worm) phosphofructokinase 0.0117 0.0801 0.1462
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0322 0.2709 0.4954
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Loa Loa (eye worm) hypothetical protein 0.016 0.1197 0.2186
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0289 0.0515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.0801 0.1462
Trypanosoma brucei carbonic anhydrase-like protein 0.0617 0.5465 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0055 0.0043
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Echinococcus granulosus neuropeptide s receptor 0.0489 0.4275 0.4312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.0753 0.1365
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0064 0.0299 0.0294
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.032 0.2695 0.4928
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0055 0.0024
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0064 0.0299 0.0492
Entamoeba histolytica hypothetical protein 0.0036 0.0039 0.0266
Echinococcus multilocularis carbonic anhydrase II 0.0617 0.5465 0.5515
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0008 0.001
Brugia malayi Latrophilin receptor protein 2 0.0102 0.0654 0.1185
Toxoplasma gondii ABC1 family protein 0.0112 0.0753 0.2794
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.0753 0.0753
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Schistosoma mansoni fkbp-rapamycin associated protein 0.0036 0.0039 0.0058
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.019 0.1479 0.1486
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.019 0.1479 1
Entamoeba histolytica carbonic anhydrase, putative 0.0053 0.02 0.1353
Toxoplasma gondii hypothetical protein 0.032 0.2695 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.009 0.0543 0.0942
Loa Loa (eye worm) hypothetical protein 0.0033 0.0008 0.001
Mycobacterium ulcerans lipase LipD 0.0112 0.0753 0.0724
Mycobacterium leprae Probable lipase LipE 0.0112 0.0753 0.3563
Schistosoma mansoni hypothetical protein 0.022 0.1758 0.3207
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.0801 0.0772
Loa Loa (eye worm) hypothetical protein 0.0119 0.0814 0.1486
Leishmania major phosphatidylinositol 3-kinase, putative 0.0064 0.0299 0.0451
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.019 0.1479 0.2663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0754 0.0754
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0036 0.0039 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0039 0.0039
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.019 0.1479 0.2663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Echinococcus granulosus serine protein kinase ATM 0.0036 0.0039 0.0032
Schistosoma mansoni hypothetical protein 0.0175 0.1337 0.2435
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0112 0.0753 0.0775
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.032 0.2695 0.4923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0162 0.1219 0.1219
Trichomonas vaginalis esterase, putative 0.0112 0.0753 0.0753
Echinococcus multilocularis serine protein kinase ATM 0.0036 0.0039 0.0032
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1291 0.1297
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.032 0.2695 0.4923
Echinococcus granulosus transcription factor eb 0.0111 0.0744 0.0744
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0289 0.0515
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0102 0.0654 0.0653
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.0753 0.0753
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0036 0.0039 0.0266
Echinococcus multilocularis transcription factor eb 0.0111 0.0744 0.0744
Echinococcus granulosus tumor protein p63 0.1092 0.9904 1
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0055 0.0048
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0299 0.0533
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0617 0.5465 1
Mycobacterium tuberculosis Probable lipase LipE 0.0112 0.0753 0.0775
Schistosoma mansoni inositol monophosphatase 0.0038 0.0055 0.0086
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0617 0.5465 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.032 0.2695 0.4923
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.018 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.019 0.1479 1
Onchocerca volvulus 0.0112 0.0753 0.4249
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.0801 0.0801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0035 0.0031 0.0116
Echinococcus granulosus Protein patched homolog 1 0.0051 0.018 0.0174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Schistosoma mansoni cellular tumor antigen P53 0.016 0.1197 0.2178
Echinococcus multilocularis geminin 0.0175 0.1337 0.1343
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0451
Mycobacterium ulcerans esterase/lipase LipP 0.0112 0.0753 0.0724
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.0801 0.1453
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0055 0.0043
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.0753 0.1365
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.0039 0.0058
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0299 0.0543
Trypanosoma cruzi target of rapamycin kinase 3 0.0151 0.1117 0.1998
Loa Loa (eye worm) hypothetical protein 0.0094 0.0584 0.1065
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0064 0.0299 0.0294
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.0801 0.0825
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0617 0.5465 1
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.0801 0.0801
Toxoplasma gondii non-specific serine/threonine protein kinase 0.004 0.0078 0.0288
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0112 0.0753 0.0775
Schistosoma mansoni patched 1 0.0051 0.018 0.0316
Onchocerca volvulus 0.016 0.1197 0.678
Trichomonas vaginalis conserved hypothetical protein 0.1102 1 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0308 0.2577 0.2697
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0102 0.0654 0.0653
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0053 0.02 0.0883

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1889 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 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
Homo sapiens ChEMBL23
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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.