Detailed information for compound 1398131

Basic information

Technical information
  • TDR Targets ID: 1398131
  • Name: ethyl 1-[3-[(2-methyl-1-propanoyl-2,3-dihydro indol-5-yl)sulfonyl]propanoyl]piperidine-4-ca rboxylate
  • MW: 464.575 | Formula: C23H32N2O6S
  • H donors: 0 H acceptors: 5 LogP: 1.6 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CC(N2C(=O)CC)C
  • InChi: 1S/C23H32N2O6S/c1-4-21(26)25-16(3)14-18-15-19(6-7-20(18)25)32(29,30)13-10-22(27)24-11-8-17(9-12-24)23(28)31-5-2/h6-7,15-17H,4-5,8-14H2,1-3H3
  • InChiKey: AFLPEWXRVNMWFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[3-(2-methyl-1-propanoyl-indolin-5-yl)sulfonylpropanoyl]piperidine-4-carboxylate
  • 1-[3-[[2-methyl-1-(1-oxopropyl)-5-indolinyl]sulfonyl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[3-(2-methyl-1-propionyl-indolin-5-yl)sulfonylpropanoyl]isonipecotic acid ethyl ester
  • MLS000730757
  • SMR000309132
  • ethyl 1-{3-[(2-methyl-1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanoyl}piperidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.0023 0.0321 0.3034
Echinococcus granulosus serine:threonine protein phosphatase PP1 beta 0.0006 0.0046 0.0046
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Trichomonas vaginalis protein phosphatase 2A, regulatory subunit, putative 0.0008 0.0079 0.0128
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0015 0.0196 0.0196
Leishmania major hypothetical protein, conserved 0.0036 0.0545 0.0859
Schistosoma mansoni protein phosphatase 2C 0.0152 0.2508 0.2496
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Toxoplasma gondii protein phosphatase 2a regulatory b subunit (b56 family) protein 0.0008 0.0079 0.0367
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-alpha catalytic subunit 0.0004 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0545 0.0943
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0718 0.0703
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0206 0.0206
Schistosoma mansoni pcd6 interacting protein-related 0.0015 0.0196 0.0181
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0006 0.0046 0.0074
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0206 0.0206
Echinococcus granulosus serine:threonine protein phosphatase 2A 56 kDa 0.0008 0.0079 0.0079
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.037 0.6175 1
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Giardia lamblia Ser/Thr phosphatase PP2A-2 catalytic subunit 0.006 0.0953 0.1543
Schistosoma mansoni protein phosphatase type 1 0.0006 0.0046 0.003
Mycobacterium leprae Probable lipase LipE 0.0036 0.0545 0.5
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.037 0.6175 1
Trypanosoma cruzi protein phosphatase 2C, putative 0.0023 0.0321 0.0495
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0015 0.0196 0.0293
Echinococcus multilocularis serine:threonine protein phosphatase PP1 isozyme 0.0006 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Schistosoma mansoni protein phosphatase 2c gamma 0.0023 0.0321 0.0306
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0006 0.0046 0.0074
Echinococcus multilocularis protein phosphatase 2C 0.0023 0.0321 0.0321
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0008 0.0079 0.0063
Echinococcus multilocularis protein phosphatase 1 catalytic subunit 0.0006 0.0046 0.0046
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0545 0.5
Mycobacterium ulcerans beta-lactamase 0.0036 0.0545 0.5
Trypanosoma cruzi serine/threonine protein phosphatase catalytic subunit, putative 0.0006 0.0046 0.0048
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Schistosoma mansoni protein tyrosine phosphatase 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein tyrosine phosphatase 0.0015 0.0196 0.0196
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0015 0.0196 0.0318
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0015 0.0196 0.0196
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.0196 0.0181
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.0196 0.0181
Giardia lamblia Protein phosphatase 2A B regulatory subunit Wdb1 0.0008 0.0079 0.0128
Loa Loa (eye worm) beta-lactamase 0.0036 0.0545 0.0545
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0545 0.0883
Echinococcus multilocularis serine:threonine protein phosphatase 2A 0.006 0.0953 0.0953
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Schistosoma mansoni protein tyrosine phosphatase 0.0015 0.0196 0.0181
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Echinococcus multilocularis protein phosphatase 2C 0.0023 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0006 0.0046 0.0046
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.0023 0.0321 0.3034
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0006 0.0046 0.0046
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) protein phosphatase 2A regulatory subunit B' delta isoform 0.0008 0.0079 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0718 0.0718
Brugia malayi Protein-tyrosine phosphatase 0.0015 0.0196 0.0181
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0206 0.0309
Mycobacterium tuberculosis Conserved protein 0.0036 0.0545 0.0943
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Echinococcus granulosus serine:threonine protein phosphatase 2A 0.006 0.0953 0.0953
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0718 0.0703
Schistosoma mansoni protein phosphatase-1 0.0006 0.0046 0.003
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.037 0.6175 0.6169
Brugia malayi hypothetical protein 0.0015 0.0196 0.0181
Leishmania major protein phosphatase 2C-like protein 0.0023 0.0321 0.0495
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0004 0.0016 0.0026
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0545 0.0943
Toxoplasma gondii ABC1 family protein 0.0036 0.0545 0.5504
Loa Loa (eye worm) LEThal family member 0.006 0.0953 0.0953
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0545 0.0943
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0545 0.0545
Echinococcus multilocularis serine:threonine protein phosphatase 2A 56 kDa 0.0008 0.0079 0.0079
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Trypanosoma brucei protein phosphatase 2C, putative 0.0023 0.0321 0.0495
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0545 0.0883
Echinococcus granulosus protein phosphatase 1b 0.0174 0.288 0.288
Brugia malayi probable protein phosphatase 2C 0.0023 0.0321 0.0306
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0206 0.0191
Brugia malayi hypothetical protein 0.0015 0.0196 0.0181
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0015 0.0196 0.0196
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Brugia malayi beta-lactamase family protein 0.0036 0.0545 0.053
Giardia lamblia Ser/Thr protein phosphatase PP1-alpha 2 catalytic subunit 0.0006 0.0046 0.0074
Brugia malayi hypothetical protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0206 0.0191
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0545 0.0859
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0718 0.0718
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0718 0.0718
Leishmania major tyrosine specific protein phosphatase, putative 0.0015 0.0196 0.0293
Echinococcus multilocularis serine:threonine protein phosphatase 2A 56 kDa 0.0008 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.006 0.0953 0.0953
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0206 0.177
Entamoeba histolytica serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, putative 0.006 0.0953 0.1543
Echinococcus multilocularis protein phosphatase 1b 0.0152 0.2508 0.2508
Trichomonas vaginalis pten, drome, putative 0.0015 0.0196 0.0318
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0545 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0015 0.0196 0.0181
Echinococcus granulosus protein phosphatase 1b 0.0152 0.2508 0.2508
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0206 0.0309
Brugia malayi isocitrate dehydrogenase 0.0016 0.0206 0.0191
Onchocerca volvulus 0.0036 0.0545 0.0583
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0545 0.0943
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.037 0.6175 0.6175
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Brugia malayi Protein-tyrosine phosphatase 1 0.0015 0.0196 0.0181
Schistosoma mansoni protein phosphatase type 1 0.0006 0.0046 0.003
Echinococcus granulosus serine:threonine protein phosphatase 2A 56 kDa 0.0008 0.0079 0.0079
Echinococcus multilocularis 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0015 0.0196 0.0293
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-alpha catalytic subunit 0.0004 0.0016 0.0016
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0006 0.0046 0.0046
Echinococcus multilocularis protein phosphatase 2a regulatory subunit 0.0008 0.0079 0.0079
Trichomonas vaginalis protein phosphatase-1, putative 0.0004 0.0016 0.0026
Loa Loa (eye worm) type 2A protein phosphatase catalytic subunit 0.006 0.0953 0.0953
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0008 0.0079 0.0063
Leishmania major hypothetical protein, conserved 0.037 0.6175 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Brugia malayi hypothetical protein 0.0015 0.0196 0.0181
Entamoeba histolytica serine/threonine protein phosphatase PP1, putative 0.0004 0.0016 0.0026
Mycobacterium tuberculosis Conserved protein 0.0036 0.0545 0.0943
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0015 0.0196 0.0196
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0206 0.0309
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.0174 0.288 0.288
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0545 0.0943
Trichomonas vaginalis protein phosphatase type 2C, putative 0.0023 0.0321 0.052
Giardia lamblia Ser/Thr phosphatase 2C, putative 0.0023 0.0321 0.052
Schistosoma mansoni protein phosphatase 2C 0.0174 0.288 0.2869
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0015 0.0196 0.0196
Plasmodium vivax protein phosphatase-beta, putative 0.006 0.0953 1
Echinococcus granulosus protein tyrosine phosphatase n9 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0718 0.0703
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0006 0.0046 0.0074
Schistosoma mansoni protein phosphatase 2C 0.0023 0.0321 0.0306
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0004 0.0016 0.0026
Plasmodium falciparum protein phosphatase PPM2 0.0023 0.0321 0.3034
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.037 0.6175 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0206 0.0206
Echinococcus granulosus protein phosphatase 1 catalytic subunit 0.0006 0.0046 0.0046
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-gamma catalytic subunit 0.0004 0.0016 0.0016
Schistosoma mansoni protein tyrosine phosphatase 0.0015 0.0196 0.0181
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.037 0.6175 0.6175
Echinococcus granulosus protein phosphatase 2a regulatory subunit 0.0008 0.0079 0.0079
Brugia malayi hypothetical protein 0.0015 0.0196 0.0181
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0004 0.0016 0.0026
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.037 0.6175 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0015 0.0196 0.0196
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0545 0.0545
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0545 0.0859
Echinococcus granulosus protein phosphatase 1, catalytic subunit, beta isozyme 0.0006 0.0046 0.0046
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0206 0.177
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0545 0.0943
Brugia malayi beta-lactamase 0.0036 0.0545 0.053
Echinococcus granulosus protein phosphatase 2c 0.0023 0.0321 0.0321
Onchocerca volvulus Putative protein phosphatase 2C 0.0023 0.0321 0.0208
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Onchocerca volvulus 0.0036 0.0545 0.0583
Toxoplasma gondii serine/threonine-protein phosphatase 2A catalytic subunit beta isoform, putative 0.006 0.0953 1
Trypanosoma cruzi hypothetical protein, conserved 0.037 0.6175 1
Schistosoma mansoni protein phosphatase-1 0.0006 0.0046 0.003
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0006 0.0046 0.003
Trichomonas vaginalis protein phosphatase-1, putative 0.006 0.0953 0.1543
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Plasmodium falciparum protein phosphatase-beta 0.006 0.0953 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Leishmania major serine/threonine protein phosphatase, putative 0.006 0.0953 0.1522
Brugia malayi Protein-tyrosine phosphatase 0.0015 0.0196 0.0181
Brugia malayi delta isoform of regulatory subunit B56, protein phosphatase 2A 0.0008 0.0079 0.0063
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0015 0.0196 0.0318
Trichomonas vaginalis protein phosphatase, caeel, putative 0.0004 0.0016 0.0026
Brugia malayi type 2A protein phosphatase catalytic subunit 0.006 0.0953 0.0939
Echinococcus multilocularis serine:threonine protein phosphatase PP1 beta 0.0006 0.0046 0.0046
Brugia malayi serine/threonine protein phosphatase 2A 0.037 0.6175 0.6169
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Trypanosoma brucei protein tyrosine phosphatase 1 0.0015 0.0196 0.0293
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0545 0.053
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0545 0.0883
Loa Loa (eye worm) serine/threonine protein phosphatase PP1 isozyme 1 0.0004 0.0016 0.0016
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0015 0.0196 0.0181
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0015 0.0196 0.0196
Trichomonas vaginalis serine/threonine protein phosphatase, putative 0.0006 0.0046 0.0074
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0206 0.0206
Trypanosoma cruzi protein phosphatase 2C-like, putative 0.0023 0.0321 0.0495
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0545 0.0883
Trypanosoma brucei protein phosphatase 1, putative 0.0006 0.0046 0.0048
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0015 0.0196 0.0196
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0545 0.053
Echinococcus multilocularis serine:threonine protein phosphatase PP1 gamma 0.0006 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.0321
Giardia lamblia Phosphatase 0.0023 0.0321 0.052
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.037 0.6175 0.6175
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0718 0.0703
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0718 0.0718
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.037 0.6175 1
Brugia malayi Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit,epsilon isoform 0.0008 0.0079 0.0063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0206 0.0206
Onchocerca volvulus 0.0036 0.0545 0.0583
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0015 0.0196 0.0293
Trypanosoma brucei Serine/threonine-protein phosphatase 2A, putative 0.006 0.0953 0.1522
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.037 0.6175 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0016 0.0016
Trichomonas vaginalis protein phosphatase-1, putative 0.0006 0.0046 0.0074
Brugia malayi beta-lactamase family protein 0.0036 0.0545 0.053
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0015 0.0196 0.0181
Trichomonas vaginalis protein phosphatase-1, putative 0.0004 0.0016 0.0026
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Trypanosoma cruzi hypothetical protein, conserved 0.037 0.6175 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Giardia lamblia Protein tyrosine phosphatase 0.0015 0.0196 0.0318
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Mycobacterium ulcerans lipase LipD 0.0036 0.0545 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0545 0.5504
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0718 0.0718
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.037 0.6175 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Brugia malayi Ser/Thr protein phosphatase family protein 0.006 0.0953 0.0939
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0015 0.0196 0.0181
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Trichomonas vaginalis bsu-protein phosphatase, putative 0.0006 0.0046 0.0074
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Trypanosoma brucei protein phosphatase 2C, putative 0.0023 0.0321 0.0495
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0015 0.0196 0.0196
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0006 0.0046 0.0046
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.3799 1
Entamoeba histolytica protein phosphatase, putative 0.0023 0.0321 0.052
Schistosoma mansoni protein phsophatase-2a 0.006 0.0953 0.0939
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.037 0.6175 1
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.037 0.6175 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0545 0.0859
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0545 0.0883
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0545 0.053
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.0196 0.0181
Mycobacterium ulcerans hypothetical protein 0.0036 0.0545 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0545 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0206 0.177
Brugia malayi protein phosphatase 2A. 0.006 0.0953 0.0939
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Brugia malayi Protein phosphatase 2C containing protein 0.0174 0.288 0.2869
Mycobacterium tuberculosis Conserved protein 0.0036 0.0545 0.0943
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus granulosus serine:threonine protein phosphatase PP1 gamma 0.0006 0.0046 0.0046
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0015 0.0196 0.0181
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0015 0.0196 0.0181
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0008 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0015 0.0196 0.0196
Loa Loa (eye worm) serine/threonine protein phosphatase PP1 isozyme 1 0.0004 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0015 0.0196 0.0196
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0015 0.0196 0.0181
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0023 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.037 0.6175 1
Toxoplasma gondii serine/threonine-protein phosphatase PP2A catalytic subunit 0.006 0.0953 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII 0.0006 0.0046 0.003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0545 0.0545
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0206 0.0309
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0015 0.0196 0.0318
Schistosoma mansoni protein phosphatase 2C 0.0152 0.2508 0.2496
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0008 0.0079 0.0063
Trichomonas vaginalis protein phosphatase-5, putative 0.0004 0.0016 0.0026
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0015 0.0196 0.0196
Brugia malayi Protein phosphatase 2C containing protein 0.0023 0.0321 0.0306
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0015 0.0196 0.0196
Trichomonas vaginalis esterase, putative 0.0036 0.0545 0.0883
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0015 0.0196 0.0181
Echinococcus multilocularis hypothetical protein 0.0015 0.0196 0.0196
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0015 0.0196 0.0181
Leishmania major serine/threonine protein phosphatase catalytic subunit, putative 0.0006 0.0046 0.0048
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0545 0.0943
Echinococcus multilocularis protein phosphatase 1b 0.0174 0.288 0.288
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0206 0.0206
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0015 0.0196 0.0293
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Echinococcus granulosus protein phosphatase 2c 0.0023 0.0321 0.0321
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) hypothetical protein 0.0015 0.0196 0.0196
Trichomonas vaginalis protein phosphatase 2A, regulatory subunit, putative 0.0008 0.0079 0.0128
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0015 0.0196 0.0181
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0206 0.177
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0206 0.0309
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0015 0.0196 0.0181
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0545 0.0545
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Leishmania major protein phosphatase 2C, putative 0.0023 0.0321 0.0495
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0015 0.0196 0.0196
Plasmodium vivax protein phosphatase PPM2, putative 0.0023 0.0321 0.3034
Trypanosoma cruzi serine/threonine-protein phosphatase 0.006 0.0953 0.1522
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0015 0.0196 0.0196
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0015 0.0196 0.0196
Trypanosoma brucei hypothetical protein, conserved 0.037 0.6175 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0015 0.0196 0.0196
Trypanosoma cruzi serine/threonine-protein phosphatase 0.006 0.0953 0.1522

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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