Detailed information for compound 1398132

Basic information

Technical information
  • TDR Targets ID: 1398132
  • Name: ethyl 1-[7-(difluoromethyl)-5-(4-methylphenyl )pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperid ine-3-carboxylate
  • MW: 442.458 | Formula: C23H24F2N4O3
  • H donors: 0 H acceptors: 4 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCCN(C1)C(=O)c1cnn2c1nc(cc2C(F)F)c1ccc(cc1)C
  • InChi: 1S/C23H24F2N4O3/c1-3-32-23(31)16-5-4-10-28(13-16)22(30)17-12-26-29-19(20(24)25)11-18(27-21(17)29)15-8-6-14(2)7-9-15/h6-9,11-12,16,20H,3-5,10,13H2,1-2H3
  • InChiKey: VTYKWIRHZOHICQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[7-(difluoromethyl)-5-(4-methylphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
  • 1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]nipecotic acid ethyl ester
  • ethyl 1-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-3-carboxylate
  • MLS000052830
  • SMR000082287
  • ethyl 1-{[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-3-piperidinecarboxylate
  • STK343811

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi protein phosphatase 2A. 0.0038 0.0502 0.0502
Echinococcus multilocularis protein phosphatase 2C 0.0012 0.0101 0.009
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Schistosoma mansoni hypothetical protein 0.0041 0.0544 0.0534
Echinococcus multilocularis protein phosphatase 2a regulatory subunit 0.0009 0.0055 0.0044
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.041 0.6166 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0067 0.0056
Leishmania major tyrosine specific protein phosphatase, putative 0.0017 0.0173 0.0263
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0207 0.0207
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0017 0.0173 0.0118
Brugia malayi follicle stimulating hormone receptor 0.0283 0.422 0.422
Plasmodium vivax protein phosphatase-beta, putative 0.0038 0.0502 1
Echinococcus multilocularis muscleblind protein 0.018 0.2664 0.2656
Trypanosoma cruzi hypothetical protein, conserved 0.041 0.6166 1
Loa Loa (eye worm) protein tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Trichomonas vaginalis pten, drome, putative 0.0017 0.0173 0.0263
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.422 0.422
Trypanosoma brucei Serine/threonine-protein phosphatase 2A, putative 0.0038 0.0502 0.0797
Loa Loa (eye worm) protein phosphatase 2A regulatory subunit B' delta isoform 0.0009 0.0055 0.0055
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0067 0.0067
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.041 0.6166 1
Schistosoma mansoni hypothetical protein 0.0019 0.0207 0.0197
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0009 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.018 0.2664 0.2664
Echinococcus granulosus smad 0.001 0.0067 0.0056
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0834 0.0834
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni protein phosphatase 2C 0.0093 0.1341 0.1331
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0381 0.0601
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0381 0.7536
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi MH1 domain containing protein 0.001 0.0067 0.0067
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0017 0.0173 0.0162
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0017 0.0173 0.0173
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0017 0.0173 0.0118
Schistosoma mansoni smad1 5 8 and 0.001 0.0067 0.0056
Loa Loa (eye worm) Smad1 0.001 0.0067 0.0067
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0017 0.0173 0.0162
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0758 0.0748
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Echinococcus multilocularis protein phosphatase 1b 0.0093 0.1341 0.1331
Toxoplasma gondii serine/threonine-protein phosphatase 2A catalytic subunit beta isoform, putative 0.0038 0.0502 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0017 0.0173 0.0173
Echinococcus multilocularis serine:threonine protein phosphatase 2A 56 kDa 0.0009 0.0055 0.0044
Trypanosoma cruzi protein phosphatase 2C-like, putative 0.0012 0.0101 0.0147
Onchocerca volvulus 0.0017 0.0173 0.0118
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0173 0.0162
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Loa Loa (eye worm) LEThal family member 0.0038 0.0502 0.0502
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0017 0.0173 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0758 0.0748
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Plasmodium falciparum protein phosphatase-beta 0.0038 0.0502 1
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.845 0.8448
Schistosoma mansoni protein phosphatase 2C 0.0082 0.1161 0.1151
Onchocerca volvulus 0.0017 0.0173 0.0118
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni smad 0.001 0.0067 0.0056
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Giardia lamblia Protein phosphatase 2A B regulatory subunit Wdb1 0.0009 0.0055 0.0072
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0207 0.0197
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0207 0.0197
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0381 0.7536
Loa Loa (eye worm) hypothetical protein 0.0019 0.0207 0.0207
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.041 0.6166 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0207 0.0197
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0758 0.0748
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0758 0.0748
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0006 0.0011 0.0011
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Trypanosoma cruzi protein phosphatase 2C, putative 0.0012 0.0101 0.0147
Trypanosoma cruzi hypothetical protein, conserved 0.041 0.6166 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus granulosus protein phosphatase 1b 0.0082 0.1161 0.1151
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus multilocularis protein phosphatase 1b 0.0082 0.1161 0.1151
Brugia malayi Protein phosphatase 2C containing protein 0.0012 0.0101 0.0101
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.041 0.6166 1
Onchocerca volvulus 4.1 G protein, putative homolog 0.0017 0.0173 0.0118
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.018 0.2664 0.2664
Brugia malayi Protein-tyrosine phosphatase 1 0.0017 0.0173 0.0173
Echinococcus multilocularis neuropeptide s receptor 0.056 0.845 0.8448
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Schistosoma mansoni protein phosphatase 2c gamma 0.0012 0.0101 0.009
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.041 0.6166 0.6162
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Toxoplasma gondii serine/threonine-protein phosphatase PP2A catalytic subunit 0.0038 0.0502 1
Onchocerca volvulus 0.0017 0.0173 0.0118
Onchocerca volvulus 0.0017 0.0173 0.0118
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0017 0.0173 0.0162
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0173 0.0162
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Echinococcus multilocularis protein phosphatase 2C 0.0012 0.0101 0.009
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Schistosoma mansoni protein phosphatase 2C 0.0082 0.1161 0.1151
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.041 0.6166 0.6166
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Schistosoma mansoni protein phosphatase 2C 0.0012 0.0101 0.009
Onchocerca volvulus 0.0017 0.0173 0.0118
Giardia lamblia Ser/Thr phosphatase 2C, putative 0.0012 0.0101 0.0147
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0009 0.0055 0.0044
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0017 0.0173 0.0162
Trypanosoma brucei protein phosphatase 2C, putative 0.0012 0.0101 0.0147
Schistosoma mansoni protein tyrosine phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0017 0.0173 0.0162
Plasmodium falciparum protein phosphatase PPM2 0.0012 0.0101 0.1838
Brugia malayi serine/threonine protein phosphatase 2A 0.041 0.6166 0.6166
Brugia malayi MH2 domain containing protein 0.001 0.0067 0.0067
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0017 0.0173 0.0162
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0017 0.0173 0.0162
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Brugia malayi hypothetical protein 0.0017 0.0173 0.0173
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Leishmania major protein phosphatase 2C, putative 0.0012 0.0101 0.0147
Brugia malayi Protein phosphatase 2C containing protein 0.0093 0.1341 0.1341
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0014 0.0125 0.0114
Brugia malayi Protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0012 0.0101 0.0101
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0041 0.0544 0.0544
Echinococcus granulosus protein phosphatase 2a regulatory subunit 0.0009 0.0055 0.0044
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0544 0.0544
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0009 0.0055 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0834 0.0834
Brugia malayi delta isoform of regulatory subunit B56, protein phosphatase 2A 0.0009 0.0055 0.0055
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.041 0.6166 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi hypothetical protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.0012 0.0101 0.1838
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0067 0.0056
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0017 0.0173 0.0162
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.041 0.6166 0.6162
Schistosoma mansoni protein tyrosine phosphatase 0.0017 0.0173 0.0162
Echinococcus granulosus neuropeptide s receptor 0.056 0.845 0.8448
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0173 0.0162
Brugia malayi MH2 domain containing protein 0.0144 0.2113 0.2113
Trichomonas vaginalis protein phosphatase type 2C, putative 0.0012 0.0101 0.0147
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0017 0.0173 0.0162
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Leishmania major serine/threonine protein phosphatase, putative 0.0038 0.0502 0.0797
Giardia lamblia Ser/Thr phosphatase PP2A-2 catalytic subunit 0.0038 0.0502 0.0797
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2113 0.2113
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0125 0.0114
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Echinococcus multilocularis 0.0017 0.0173 0.0162
Brugia malayi Ser/Thr protein phosphatase family protein 0.0038 0.0502 0.0502
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0017 0.0173 0.0162
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0758 0.0758
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0017 0.0173 0.0118
Echinococcus granulosus serine:threonine protein phosphatase 2A 56 kDa 0.0009 0.0055 0.0044
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0381 0.0601
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi MH1 domain containing protein 0.001 0.0067 0.0067
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0017 0.0173 0.0162
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.0012 0.0101 0.1838
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0173 0.0162
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0758 0.0748
Loa Loa (eye worm) hypothetical protein 0.003 0.0381 0.0381
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Echinococcus multilocularis muscleblind protein 1 0.018 0.2664 0.2656
Onchocerca volvulus 0.0017 0.0173 0.0118
Echinococcus granulosus protein tyrosine phosphatase n9 0.0017 0.0173 0.0162
Trypanosoma brucei protein phosphatase 2C, putative 0.0012 0.0101 0.0147
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0006 0.0011 0.0011
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.0093 0.1341 0.1341
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Echinococcus multilocularis smad 0.001 0.0067 0.0056
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0017 0.0173 0.0263
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0758 0.0758
Brugia malayi hypothetical protein 0.003 0.0381 0.0381
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Schistosoma mansoni hypothetical protein 0.0019 0.0207 0.0197
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Trypanosoma cruzi serine/threonine-protein phosphatase 0.0038 0.0502 0.0797
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0017 0.0173 0.0162
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0381 0.7536
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.041 0.6166 1
Brugia malayi Serine/threonine protein phosphatase PP1-beta catalytic subunit 0.0006 0.0011 0.0011
Echinococcus granulosus muscleblind protein 0.018 0.2664 0.2656
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0017 0.0173 0.0162
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2113 0.2113
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0017 0.0173 0.0162
Echinococcus granulosus Smad4 0.001 0.0067 0.0056
Echinococcus granulosus protein phosphatase 2c 0.0012 0.0101 0.009
Brugia malayi hypothetical protein 0.0017 0.0173 0.0173
Toxoplasma gondii protein phosphatase 2a regulatory b subunit (b56 family) protein 0.0009 0.0055 0.0902
Schistosoma mansoni pcd6 interacting protein-related 0.0017 0.0173 0.0162
Schistosoma mansoni smad1 5 8 and 0.001 0.0067 0.0056
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Echinococcus multilocularis serine:threonine protein phosphatase 2A 0.0038 0.0502 0.0491
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Giardia lamblia Protein tyrosine phosphatase 0.0017 0.0173 0.0263
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.041 0.6166 0.6162
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0017 0.0173 0.0162
Brugia malayi type 2A protein phosphatase catalytic subunit 0.0038 0.0502 0.0502
Schistosoma mansoni Smad4 0.001 0.0067 0.0056
Echinococcus granulosus protein phosphatase 2c 0.0012 0.0101 0.009
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0067 0.0056
Leishmania major hypothetical protein, conserved 0.003 0.0381 0.0601
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0207 0.0207
Leishmania major protein phosphatase 2C-like protein 0.0012 0.0101 0.0147
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0381 0.7536
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus multilocularis Smad4 0.001 0.0067 0.0056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0758 0.0748
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0067 0.0056
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162
Trypanosoma brucei protein tyrosine phosphatase 1 0.0017 0.0173 0.0263
Echinococcus granulosus serine:threonine protein phosphatase 2A 0.0038 0.0502 0.0491
Echinococcus granulosus serine:threonine protein phosphatase 2A 56 kDa 0.0009 0.0055 0.0044
Loa Loa (eye worm) type 2A protein phosphatase catalytic subunit 0.0038 0.0502 0.0502
Schistosoma mansoni protein phosphatase 2a regulatory subunit 0.0009 0.0055 0.0044
Trichomonas vaginalis protein phosphatase 2A, regulatory subunit, putative 0.0009 0.0055 0.0072
Entamoeba histolytica serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, putative 0.0038 0.0502 0.066
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.041 0.6166 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Onchocerca volvulus 0.0017 0.0173 0.0118
Brugia malayi hypothetical protein 0.0017 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Brugia malayi MH2 domain containing protein 0.001 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Echinococcus granulosus neuropeptide receptor A26 0.056 0.845 0.8448
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.041 0.6166 1
Brugia malayi Smad1 0.001 0.0067 0.0067
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0017 0.0173 0.0162
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0019 0.0207 0.0197
Trichomonas vaginalis protein phosphatase 2A, regulatory subunit, putative 0.0009 0.0055 0.0072
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0125 0.0114
Plasmodium vivax protein phosphatase PPM2, putative 0.0012 0.0101 0.1838
Trypanosoma cruzi serine/threonine-protein phosphatase 0.0038 0.0502 0.0797
Schistosoma mansoni hypothetical protein 0.0019 0.0207 0.0197
Brugia malayi probable protein phosphatase 2C 0.0012 0.0101 0.0101
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.041 0.6166 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0834 0.0834
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.041 0.6166 1
Echinococcus multilocularis serine:threonine protein phosphatase 2A 56 kDa 0.0009 0.0055 0.0044
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0758 0.0748
Echinococcus multilocularis GPCR, family 2 0.0019 0.0207 0.0197
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0017 0.0173 0.0173
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0017 0.0173 0.0263
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0017 0.0173 0.0162
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.041 0.6166 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0381 0.0601
Brugia malayi Protein-tyrosine phosphatase 0.0017 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Brugia malayi Muscleblind-like protein 0.018 0.2664 0.2664
Brugia malayi hypothetical protein 0.002 0.0217 0.0217
Onchocerca volvulus 0.0017 0.0173 0.0118
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0012 0.0101 0.0101
Echinococcus multilocularis hypothetical protein 0.0017 0.0173 0.0162
Brugia malayi Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit,epsilon isoform 0.0009 0.0055 0.0055
Onchocerca volvulus 0.0017 0.0173 0.0118
Schistosoma mansoni protein phsophatase-2a 0.0038 0.0502 0.0491
Giardia lamblia Phosphatase 0.0012 0.0101 0.0147
Schistosoma mansoni protein tyrosine phosphatase 0.0017 0.0173 0.0162
Brugia malayi Serine/threonine protein phosphatase F56C9.1 in chromosomeIII 0.0006 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0017 0.0173 0.0263
Echinococcus granulosus protein phosphatase 1b 0.0093 0.1341 0.1331
Trichomonas vaginalis protein phosphatase-1, putative 0.0038 0.0502 0.0797
Schistosoma mansoni smad1 5 8 and 0.001 0.0067 0.0056
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0207 0.0207
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0017 0.0173 0.0173
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0834 0.0834
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0067 0.0056
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0017 0.0173 0.0162
Onchocerca volvulus 0.0017 0.0173 0.0118
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0207 0.0197
Leishmania major hypothetical protein, conserved 0.041 0.6166 1
Brugia malayi hypothetical protein 0.0017 0.0173 0.0173
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0173 0.0162
Loa Loa (eye worm) hypothetical protein 0.0017 0.0173 0.0173
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0017 0.0173 0.0173
Echinococcus granulosus GPCR family 2 0.0019 0.0207 0.0197
Loa Loa (eye worm) hypothetical protein 0.0038 0.0502 0.0502
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0017 0.0173 0.0162

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 155.104 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 0.2512 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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
Potency (functional) 11.2202 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 (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

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