Detailed information for compound 1420636

Basic information

Technical information
  • TDR Targets ID: 1420636
  • Name: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]- 2-quinolin-2-ylsulfanylacetamide
  • MW: 412.916 | Formula: C19H13ClN4OS2
  • H donors: 1 H acceptors: 4 LogP: 5.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nsc(n1)c1ccc(cc1)Cl)CSc1ccc2c(n1)cccc2
  • InChi: 1S/C19H13ClN4OS2/c20-14-8-5-13(6-9-14)18-23-19(24-27-18)22-16(25)11-26-17-10-7-12-3-1-2-4-15(12)21-17/h1-10H,11H2,(H,22,24,25)
  • InChiKey: OSIZEGISBQWQSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolylsulfanyl)acetamide
  • N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolylthio)acetamide
  • N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanyl-ethanamide
  • SMR000199315
  • ZINC01100848
  • NCGC00101378-01
  • MLS000580071
  • N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolinylthio)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens protein tyrosine phosphatase, non-receptor type 7 Starlite/ChEMBL No references
Homo sapiens dual specificity phosphatase 3 Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica dual specificity protein phosphatase, putative Get druggable targets OG5_134995 All targets in OG5_134995
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis pps1 dual specificty phosphatase, putative Get druggable targets OG5_134995 All targets in OG5_134995
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus receptor type tyrosine protein phosphatase protein tyrosine phosphatase, non-receptor type 7 434 aa 400 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei kinetoplastid-specific dual specificity phosphatase, putative dual specificity phosphatase 3 185 aa 182 aa 25.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0315 0.1051
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0315 0.4598
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.1965 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0685 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0315 0.4828
Loa Loa (eye worm) hypothetical protein 0.018 0.2321 0.5444
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0419 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0419 0.0983
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2993 0.2993
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0419 0.6126
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.2993 0.702
Loa Loa (eye worm) hypothetical protein 0.018 0.2321 0.5444
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0315 0.0315
Brugia malayi hypothetical protein 0.0033 0.0149 0.0349
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0315 0.4598
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2993 0.2993
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0419 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2082 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0419 0.6126
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2993 0.2993
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.2082 0.8971
Leishmania major DNA polymerase eta, putative 0.0038 0.0217 0.3171
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0685 0.0685
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Loa Loa (eye worm) hypothetical protein 0.0054 0.0455 0.1066
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0217 0.3171
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2993 0.2993
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0246 0.5
Schistosoma mansoni DNA polymerase eta 0.0054 0.0455 0.2183
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0315 0.0315
Brugia malayi Muscleblind-like protein 0.018 0.2321 0.5444
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.2993 0.702
Leishmania major DNA polymerase eta, putative 0.0054 0.0455 0.664
Schistosoma mansoni hypothetical protein 0.0152 0.1902 0.9134
Leishmania major hypothetical protein, conserved 0.0052 0.0419 0.6126
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0419 0.5
Echinococcus multilocularis muscleblind protein 0.018 0.2321 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0315 0.5
Schistosoma mansoni inositol monophosphatase 0.0045 0.0315 0.1511
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1902 0.8194
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2842 0.2842
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0315 0.1356
Echinococcus multilocularis dna polymerase eta 0.0054 0.0455 0.1958
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.2993 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0455 0.1066
Brugia malayi Inositol-1 0.0045 0.0315 0.0738
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0315 0.4598
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0685 0.0685
Schistosoma mansoni inositol monophosphatase 0.0045 0.0315 0.1511
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.07 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0315 0.0315
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.2993 0.2993
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0455 0.664
Echinococcus granulosus muscleblind protein 0.018 0.2321 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2993 0.2993
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0685 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0685 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0315 0.4598
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.4264 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2842 0.2842
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4264 0.4264
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0315 0.1356
Echinococcus multilocularis muscleblind protein 1 0.018 0.2321 1
Loa Loa (eye worm) inositol-1 0.0045 0.0315 0.0738
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1902 0.8194
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.4264 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0246 0.125
Schistosoma mansoni thyroid hormone receptor 0.0164 0.2082 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0315 0.0315
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0419 0.6126
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0419 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0455 0.664
Echinococcus granulosus dna polymerase eta 0.0054 0.0455 0.1958
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.2993 0.2993
Onchocerca volvulus 0.0226 0.2993 1
Brugia malayi hypothetical protein 0.0052 0.0419 0.0983
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.2993 1
Leishmania major hypothetical protein, conserved 0.007 0.0685 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.2993 0.2993
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2679 0.2679

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.931 uM PUBCHEM_BIOASSAY: Dose Response confirmation of compounds that inhibit HePTP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1059, AID1661, AID2085] ChEMBL. No reference
IC50 (functional) = 6.74 uM PUBCHEM_BIOASSAY: Dose Response Confirmation of compounds that inhibit VHR1 in Fluorescent Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1661, AID1878] ChEMBL. No reference
IC50 (functional) 11.7 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 80 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] 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) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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