Detailed information for compound 1878210

Basic information

Technical information
  • TDR Targets ID: 1878210
  • Name: [4-[(pyridine-3-carbonylhydrazinylidene)methy l]phenyl] 3-fluorobenzoate
  • MW: 363.342 | Formula: C20H14FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)Oc1ccc(cc1)/C=N/NC(=O)c1cccnc1
  • InChi: 1S/C20H14FN3O3/c21-17-5-1-3-15(11-17)20(26)27-18-8-6-14(7-9-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25)/b23-12+
  • InChiKey: GVKAFLXCAJNDKL-FSJBWODESA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
  • [4-[(pyridine-3-carbonylhydrazono)methyl]phenyl] 3-fluorobenzoate
  • [4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 3-fluorobenzoate
  • 3-fluorobenzoic acid [4-[(E)-[[oxo-(3-pyridyl)methyl]hydrazono]methyl]phenyl] ester
  • 3-fluorobenzoic acid [4-[[[oxo-(3-pyridyl)methyl]hydrazono]methyl]phenyl] ester
  • 3-fluorobenzoic acid [4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] ester
  • 3-fluorobenzoic acid [4-[(pyridine-3-carbonylhydrazono)methyl]phenyl] ester
  • [4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
  • [4-[(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
  • A0739/0034518
  • Pyridine-3-carbohydrazide, N2-[4-(3-fluorobenzoyloxy)benzylideno]-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica protein tyrosine phosphatase, putative 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
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase 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
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Onchocerca volvulus 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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Loa Loa (eye worm) hypothetical protein 0.0053 0.0611 0.1948
Schistosoma mansoni cpg binding protein 0.0035 0.0362 0.0362
Loa Loa (eye worm) ctsf protein 0.0018 0.0126 0.0323
Entamoeba histolytica cysteine protease, putative 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0112 0.0275
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.0816 0.1638
Schistosoma mansoni hypothetical protein 0.0017 0.0112 0.0112
Toxoplasma gondii hypothetical protein 0.0059 0.0697 0.8567
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3018 1
Echinococcus multilocularis cysteine protease 0.0018 0.0126 0.0126
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0126 0.0126
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.3018 1
Echinococcus granulosus GPCR family 2 0.0017 0.0112 0.0112
Onchocerca volvulus 0.0018 0.0126 0.0273
Brugia malayi cathepsin L-like precursor 0.0012 0.0045 0.0126
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0126 0.0323
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0112 0.0112
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Loa Loa (eye worm) fibroinase 0.0018 0.0126 0.0323
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0362 0.1113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0045 0.0051
Onchocerca volvulus 0.0018 0.0126 0.0273
Echinococcus granulosus cathepsin L 0.0009 0.0007 0.0007
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0847 0.1702
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0126 0.0126
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3018 1
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0126 0.0241
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0748 0.1501
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Onchocerca volvulus 0.0035 0.0362 0.1067
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0007 0.0007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0611 0.1948
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.0275
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0593 0.1186
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.3018 1
Onchocerca volvulus 0.0018 0.0126 0.0273
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Echinococcus granulosus cysteine protease 0.0009 0.0007 0.0007
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0126 0.0273
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0847 0.2792
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0126 0.0273
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.3018 1
Onchocerca volvulus 0.0018 0.0126 0.0273
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0816 0.1638
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0616 0.1233
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0112 0.0112
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0112 0.0348
Echinococcus multilocularis cysteine protease 0.0018 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0012 0.0045 0.0051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Leishmania major hypothetical protein, conserved 0.007 0.0847 0.1497
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0112 0.0112
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0611 0.2008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0112 0.0348
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0126 0.0126
Plasmodium vivax vivapain-2 0.0018 0.0126 1
Schistosoma mansoni hypothetical protein 0.0017 0.0112 0.0112
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0017 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0018 0.0126 0.0323
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Onchocerca volvulus 0.0226 0.3018 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0126 0.0126
Onchocerca volvulus 0.0018 0.0126 0.0273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0029 0.0029
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3018 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Echinococcus granulosus cathepsin L cysteine protease 0.0009 0.0007 0.0007
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0126 0.0273
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0847 0.1702
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0045 0.0126
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0045 0.0045
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.0735 0.1474
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3018 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0045 0.0051
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.3018 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0847 0.2792
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0126 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0793 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0126 0.0395
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.2549 1
Onchocerca volvulus 0.0018 0.0126 0.0273
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0045 0.0126
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0126 0.0126
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0902 0.0902
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0816 0.1638
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4946 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Echinococcus multilocularis cathepsin L 0.0009 0.0007 0.0007
Leishmania major cathepsin L-like protease 0.0067 0.0816 0.1431
Brugia malayi Cathepsin L-like precursor 0.0012 0.0045 0.0126
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0593 0.1186
Schistosoma mansoni cpg binding protein 0.0037 0.0389 0.0389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.4946 1
Leishmania major cathepsin L-like protease 0.0067 0.0816 0.1431
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3018 1
Brugia malayi Cathepsin L-like precursor 0.0012 0.0045 0.0126
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0126 0.0323
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.3018 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0126 1
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0126 0.0395
Echinococcus granulosus cathepsin l1 0.0018 0.0126 0.0126
Schistosoma mansoni hypothetical protein 0.0017 0.0112 0.0112
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0029 0.0029
Echinococcus granulosus cpg binding protein 0.0037 0.0389 0.0389
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.4946 1
Echinococcus multilocularis microtubule associated protein 2 0.0729 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3018 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0816 0.1638
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0126 0.0126
Loa Loa (eye worm) cysteine protease 0.0018 0.0126 0.0323
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Echinococcus granulosus cathepsin l1 0.0012 0.0045 0.0045
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0126 0.0395
Brugia malayi CXXC zinc finger family protein 0.0035 0.0362 0.118
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0126 0.0395
Onchocerca volvulus 0.0018 0.0126 0.0273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0126 0.0395
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0847 0.1702
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0126 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0007 0.0007
Brugia malayi Cathepsin L-like precursor 0.0018 0.0126 0.0395
Echinococcus multilocularis GPCR, family 2 0.0017 0.0112 0.0112
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.2278 0.4464
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.2278 0.4598
Loa Loa (eye worm) hypothetical protein 0.0036 0.038 0.1174
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Schistosoma mansoni microtubule-associated protein tau 0.0729 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0045 0.0126
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0593 0.1186
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0112 0.0112
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.3018 1
Leishmania major cathepsin L-like protease 0.0067 0.0816 0.1431
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0027 0.0069
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.038 0.124
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.2278 0.4598
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0816 0.1638
Echinococcus multilocularis cpg binding protein 0.0037 0.0389 0.0389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0611 0.2008
Schistosoma mansoni cpg binding protein 0.0037 0.0389 0.0389
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0593 0.1186
Schistosoma mansoni hypothetical protein 0.0036 0.038 0.038
Plasmodium vivax vivapain-2 0.0018 0.0126 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0126 0.0395
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0045 0.0126
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.4946 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0126 0.0126
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0126 0.0395

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 14.4 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
IC50 (functional) 15.4 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
Potency (functional) 9.285 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary 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.
 
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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