Detailed information for compound 1236002

Basic information

Technical information
  • TDR Targets ID: 1236002
  • Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfo nylethyl]-5-oxo-1-phenylpyrrolidine-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)N1CCN(CC1)S(=O)(=O)CCNC(=O)C1CC(=O)N(C1)c1ccccc1
  • InChi: 1S/C24H30N4O5S/c1-33-22-9-7-20(8-10-22)26-12-14-27(15-13-26)34(31,32)16-11-25-24(30)19-17-23(29)28(18-19)21-5-3-2-4-6-21/h2-10,19H,11-18H2,1H3,(H,25,30)
  • InChiKey: ARVAQXNVIZWSMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide
  • N-[2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]ethyl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
  • 5-keto-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-phenyl-pyrrolidine-3-carboxamide
  • NCGC00133148-01
  • G678-0440

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.019 0.1479 0.2663
Echinococcus multilocularis neuropeptide s receptor 0.0489 0.4275 0.4312
Loa Loa (eye worm) hypothetical protein 0.0111 0.0739 0.1349
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0036 0.0039 0.0015
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0289 0.1072
Plasmodium vivax sulfate transporter, putative 0.0035 0.0031 0.0416
Onchocerca volvulus 0.0112 0.0753 0.4249
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0151 0.1117 0.1963
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0832 0.1509
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0112 0.0753 0.0724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.0753 0.0753
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0814 0.1478
Loa Loa (eye worm) hypothetical protein 0.0039 0.0065 0.0115
Schistosoma mansoni carbonic anhydrase 0.0053 0.02 0.0352
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.019 0.1479 0.2663
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0036 0.0039 0.0058
Loa Loa (eye worm) phosphatidylinositol 3 0.019 0.1479 0.2702
Echinococcus multilocularis protein patched 0.0051 0.018 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.018 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.0801 0.1453
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.019 0.1479 0.2695
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0112 0.0753 0.1374
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0753 0.1328
Echinococcus granulosus expressed conserved protein 0.0112 0.0747 0.0747
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
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0036 0.0039 0.0032
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0289 0.0284
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0814 0.5507
Mycobacterium leprae Probable transmembrane transport protein 0.0254 0.208 1
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Mycobacterium tuberculosis Probable hydrolase 0.0112 0.0753 0.0775
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0111 0.0744 0.1349
Brugia malayi 6-phosphofructokinase 0.0117 0.0801 0.1453
Loa Loa (eye worm) hypothetical protein 0.0094 0.0584 0.1065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0856 0.0856
Brugia malayi Inositol-1 0.0038 0.0055 0.0086
Plasmodium vivax hypothetical protein, conserved 0.0112 0.0753 1
Mycobacterium ulcerans carbonic anhydrase 0.0053 0.02 0.0169
Echinococcus granulosus GPCR family 2 0.0102 0.0654 0.0653
Echinococcus multilocularis GPCR, family 2 0.0102 0.0654 0.0653
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0151 0.1117 0.1998
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.0801 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Onchocerca volvulus 0.022 0.1761 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0289 0.0284
Loa Loa (eye worm) hypothetical protein 0.0036 0.0039 0.0068
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Giardia lamblia GTOR 0.019 0.1479 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0654 0.1194
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Loa Loa (eye worm) transcription factor SMAD2 0.0264 0.2172 0.3971
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.1479 0.2695
Mycobacterium tuberculosis Probable esterase LipL 0.0112 0.0753 0.0775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0055 0.0048
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
Schistosoma mansoni hypothetical protein 0.0049 0.0163 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
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1291 0.1297
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0754 0.0754
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.019 0.1479 0.2631
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.019 0.1479 0.2631
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Loa Loa (eye worm) beta-lactamase 0.0112 0.0753 0.1374
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0055 0.0204
Schistosoma mansoni hypothetical protein 0.032 0.2695 0.4923
Echinococcus granulosus geminin 0.0175 0.1337 0.1343
Schistosoma mansoni hypothetical protein 0.0175 0.1337 0.2435
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
Onchocerca volvulus 0.0112 0.0753 0.4249
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0035 0.0031 0.0116
Onchocerca volvulus Putative sulfate transporter 0.022 0.1761 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Trypanosoma cruzi hypothetical protein, conserved 0.0112 0.0753 0.1328
Chlamydia trachomatis sulfate transporter 0.0035 0.0031 1
Schistosoma mansoni eyes absent homolog 0.0094 0.0584 0.1055
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0055 0.0055
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
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.0801 0.1416
Echinococcus multilocularis tumor protein p63 0.1092 0.9904 1
Mycobacterium leprae conserved hypothetical protein 0.0112 0.0753 0.3563
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Brugia malayi beta-lactamase 0.0112 0.0753 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Echinococcus granulosus neuropeptide receptor A26 0.0489 0.4275 0.4312
Schistosoma mansoni inositol monophosphatase 0.0038 0.0055 0.0086
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.0801 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.0801 0.1416
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Loa Loa (eye worm) MH2 domain-containing protein 0.0264 0.2172 0.3971
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0102 0.0654 0.0653
Loa Loa (eye worm) hypothetical protein 0.022 0.1758 0.3214
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0036 0.0039 0.0032
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.018 0.0174
Leishmania major carbonic anhydrase-like protein 0.0617 0.5465 1
Trypanosoma brucei hypothetical protein, conserved 0.0112 0.0753 0.1328
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.0801 0.1379
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Plasmodium falciparum carbonic anhydrase 0.032 0.2695 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0289 0.0285
Echinococcus multilocularis beta LACTamase domain containing family member 0.0112 0.0753 0.0753
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1049 0.9503 1
Brugia malayi beta-lactamase family protein 0.0112 0.0753 0.1365
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.018 0.0326
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0102 0.0654 0.0653
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0717 0.6407 0.6735
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
Loa Loa (eye worm) hypothetical protein 0.0051 0.018 0.0326
Toxoplasma gondii FATC domain-containing protein 0.0036 0.0039 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.1479 0.1479
Brugia malayi MH2 domain containing protein 0.0264 0.2172 0.3965
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0064 0.0299 0.0533
Brugia malayi hypothetical protein 0.0094 0.0584 0.1055
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.032 0.2695 0.4923
Echinococcus granulosus beta LACTamase domain containing family member 0.0112 0.0753 0.0753
Schistosoma mansoni hypothetical protein 0.0102 0.0654 0.1185
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0055 0.0371
Brugia malayi CHE-14 protein 0.0051 0.018 0.0316
Leishmania major hypothetical protein, conserved 0.0112 0.0753 0.129
Echinococcus granulosus carbonic anhydrase II 0.0617 0.5465 0.5515
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.1102 1 1
Brugia malayi phosphofructokinase 0.0117 0.0801 0.1453
Trichomonas vaginalis D-aminoacylase, putative 0.0112 0.0753 0.0753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Brugia malayi latrophilin 2 splice variant baaae 0.022 0.1758 0.3207
Echinococcus multilocularis neuropeptide receptor A26 0.0489 0.4275 0.4312
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.0801 0.3796
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0289 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.1024 0.1024
Loa Loa (eye worm) hypothetical protein 0.016 0.1197 0.2186
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0289 0.0515
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0322 0.2709 0.4954
Trypanosoma brucei carbonic anhydrase-like protein 0.0617 0.5465 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.0801 0.1462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.032 0.2695 0.4928
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0064 0.0299 0.0294
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0112 0.0753 0.1365
Echinococcus granulosus neuropeptide s receptor 0.0489 0.4275 0.4312
Echinococcus granulosus carbonic anhydrase 0.032 0.2695 0.2715
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0055 0.0043
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0064 0.0299 0.0492
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0055 0.0024
Echinococcus multilocularis carbonic anhydrase II 0.0617 0.5465 0.5515
Entamoeba histolytica hypothetical protein 0.0036 0.0039 0.0266
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.0753 0.0753
Schistosoma mansoni fkbp-rapamycin associated protein 0.0036 0.0039 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.0801 0.0801
Loa Loa (eye worm) hypothetical protein 0.0112 0.0753 0.1374
Toxoplasma gondii ABC1 family protein 0.0112 0.0753 0.2794
Brugia malayi Latrophilin receptor protein 2 0.0102 0.0654 0.1185
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0008 0.001
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.019 0.1479 0.1486
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.1115 0.1115
Entamoeba histolytica carbonic anhydrase, putative 0.0053 0.02 0.1353
Toxoplasma gondii hypothetical protein 0.032 0.2695 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.019 0.1479 1
Brugia malayi beta-lactamase family protein 0.0112 0.0753 0.1365
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
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0079 0.0441 0.0754
Mycobacterium ulcerans hypothetical protein 0.0112 0.0753 0.0724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0617 0.5465 1
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Leishmania major carbonic anhydrase family protein, putative 0.0053 0.02 0.0268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0322 0.2709 0.4949
Echinococcus multilocularis protein dispatched 1 0.0058 0.0248 0.0242
Echinococcus multilocularis carbonic anhydrase 0.032 0.2695 0.2715
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0102 0.0654 0.1185
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.032 0.2695 0.4923
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
Loa Loa (eye worm) hypothetical protein 0.0062 0.0287 0.0522
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0661 0.0661
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0617 0.5465 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0055 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0039 0.0039
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0814 0.0815
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0617 0.5465 1
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Brugia malayi Calcitonin receptor-like protein seb-1 0.0322 0.2709 0.4949
Trichomonas vaginalis penicillin-binding protein, putative 0.0112 0.0753 0.0753
Brugia malayi 6-phosphofructokinase 0.0117 0.0801 0.1453
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.019 0.1479 0.1486
Loa Loa (eye worm) hypothetical protein 0.004 0.0078 0.0138
Mycobacterium ulcerans beta-lactamase 0.0112 0.0753 0.0724
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.0801 0.5416
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0036 0.0039 0.0015
Echinococcus multilocularis expressed conserved protein 0.0112 0.0747 0.0747
Loa Loa (eye worm) phosphofructokinase 0.0117 0.0801 0.1462
Schistosoma mansoni carbonic anhydrase-related 0.032 0.2695 0.4923
Loa Loa (eye worm) hypothetical protein 0.032 0.2695 0.4928
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
Schistosoma mansoni carbonic anhydrase 0.032 0.2695 0.4923
Mycobacterium tuberculosis Probable lipase LipD 0.0112 0.0753 0.0775
Onchocerca volvulus 0.0112 0.0753 0.4249
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.019 0.1479 1
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
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
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.0801 0.0801
Echinococcus multilocularis geminin 0.0175 0.1337 0.1343
Schistosoma mansoni cellular tumor antigen P53 0.016 0.1197 0.2178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.0764 0.0764
Echinococcus granulosus Protein patched homolog 1 0.0051 0.018 0.0174
Trypanosoma cruzi target of rapamycin kinase 3 0.0151 0.1117 0.1998
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0299 0.0543
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.0039 0.0058
Schistosoma mansoni hypothetical protein 0.0049 0.0163 0.0284
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0112 0.0753 0.1365
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0055 0.0043
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0451
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.0801 0.1453
Mycobacterium ulcerans esterase/lipase LipP 0.0112 0.0753 0.0724
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0064 0.0299 0.0294
Loa Loa (eye worm) hypothetical protein 0.0094 0.0584 0.1065
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0112 0.0753 0.0775
Toxoplasma gondii non-specific serine/threonine protein kinase 0.004 0.0078 0.0288
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.0801 0.0801
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0617 0.5465 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.0801 0.0825
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0308 0.2577 0.2697
Trichomonas vaginalis conserved hypothetical protein 0.1102 1 1
Onchocerca volvulus 0.016 0.1197 0.678
Schistosoma mansoni patched 1 0.0051 0.018 0.0316
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0053 0.02 0.0883
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0102 0.0654 0.0653
Leishmania major phosphatidylinositol 3-kinase, putative 0.0064 0.0299 0.0451
Schistosoma mansoni hypothetical protein 0.022 0.1758 0.3207
Loa Loa (eye worm) hypothetical protein 0.0119 0.0814 0.1486
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.0801 0.0772
Mycobacterium ulcerans lipase LipD 0.0112 0.0753 0.0724
Mycobacterium leprae Probable lipase LipE 0.0112 0.0753 0.3563
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0299 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0662 0.0662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0039 0.0039
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0036 0.0039 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0754 0.0754
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.019 0.1479 0.2663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0162 0.1219 0.1219
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.032 0.2695 0.4923
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0112 0.0753 0.0775
Schistosoma mansoni hypothetical protein 0.0175 0.1337 0.2435
Echinococcus granulosus serine protein kinase ATM 0.0036 0.0039 0.0032
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.019 0.1479 0.2663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0289 0.0258
Echinococcus granulosus transcription factor eb 0.0111 0.0744 0.0744
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
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0299 0.0492
Echinococcus multilocularis serine protein kinase ATM 0.0036 0.0039 0.0032
Trichomonas vaginalis esterase, putative 0.0112 0.0753 0.0753
Echinococcus granulosus tumor protein p63 0.1092 0.9904 1
Echinococcus multilocularis transcription factor eb 0.0111 0.0744 0.0744
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
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
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
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0055 0.0048
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0617 0.5465 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0055 0.0086
Mycobacterium tuberculosis Probable lipase LipE 0.0112 0.0753 0.0775
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0617 0.5465 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.018 0.018
Mycobacterium tuberculosis Conserved protein 0.0112 0.0753 0.0775
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.032 0.2695 0.4923

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0329 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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