Detailed information for compound 1342162

Basic information

Technical information
  • TDR Targets ID: 1342162
  • Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxybenzoy l)-6-methoxy-4-oxoquinolin-1-yl]acetamide
  • MW: 500.499 | Formula: C28H24N2O7
  • H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccc(cc1)C(=O)c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2c(c1=O)cc(cc2)OC
  • InChi: 1S/C28H24N2O7/c1-3-35-19-7-4-17(5-8-19)27(32)22-14-30(23-10-9-20(34-2)13-21(23)28(22)33)15-26(31)29-18-6-11-24-25(12-18)37-16-36-24/h4-14H,3,15-16H2,1-2H3,(H,29,31)
  • InChiKey: VBDYCYZULIEBPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxybenzoyl)-6-methoxy-4-oxo-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethoxyphenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxybenzoyl)-4-keto-6-methoxy-1-quinolyl]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[3-(4-ethoxyphenyl)carbonyl-6-methoxy-4-oxo-quinolin-1-yl]ethanamide
  • C647-0054
  • NCGC00110954-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 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
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax aldehyde reductase, putative 0.0137 0.2732 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0134 0.0134
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0707 0.0494
Mycobacterium tuberculosis Conserved protein 0.0137 0.2732 0.2565
Echinococcus granulosus hypothetical protein 0.0474 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0876 0.0666
Loa Loa (eye worm) beta-lactamase 0.0043 0.0707 0.0707
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.2732 0.2565
Giardia lamblia Aldose reductase 0.0474 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0474 1 1
Onchocerca volvulus 0.0474 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0134 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Schistosoma mansoni plexin 0.0017 0.0133 0.0133
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0474 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5766 0.5669
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0547 0.0547
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0337 0.7036 0.6811
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0224 0.0224
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0224 0.0224
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0707 0.0494
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Toxoplasma gondii ABC1 family protein 0.0043 0.0707 0.0294
Onchocerca volvulus 0.0036 0.0547 0.0547
Schistosoma mansoni hypothetical protein 0.0017 0.0134 0.0134
Echinococcus multilocularis aldo keto reductase 0.0474 1 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.3917 0.3777
Brugia malayi Pre-SET motif family protein 0.0251 0.5195 0.5195
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0474 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0876 0.0666
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2732 0.2565
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0518 0.0518
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Onchocerca volvulus 0.0017 0.0133 0.0133
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0547 0.0547
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0558 0.0558
Echinococcus granulosus aldo keto reductase 0.0474 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0707 0.0494
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0134 0.0134
Echinococcus granulosus dna polymerase kappa 0.0021 0.0224 0.0224
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0924 0.0924
Schistosoma mansoni DNA polymerase eta 0.0021 0.0224 0.0224
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0707 0.0494
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0063 0.0063
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Mycobacterium ulcerans oxidoreductase 0.0474 1 1
Loa Loa (eye worm) oxidoreductase 0.0474 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0547 0.0127
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.7644 0.759
Loa Loa (eye worm) oxidoreductase 0.0474 1 1
Toxoplasma gondii hypothetical protein 0.0059 0.1039 0.064
Trypanosoma cruzi aldo/keto reductase, putative 0.0137 0.2732 0.2565
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.0494
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0707 0.0494
Onchocerca volvulus 0.0043 0.0707 0.0707
Echinococcus granulosus aldo keto reductase 0.0474 1 1
Onchocerca volvulus 0.0286 0.5945 0.5945
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0036 0.0547 0.0547
Leishmania major aldo-keto reductase-like protein 0.0474 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0426 0.0346
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3495 0.3441
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0426 0.0206
Leishmania major hypothetical protein, conserved 0.0043 0.0707 0.0494
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0876 0.0799
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0133
Schistosoma mansoni hypothetical protein 0.0014 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0037 0.0558 0.0558
Onchocerca volvulus 0.0474 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0134 0.0134
Onchocerca volvulus 0.0043 0.0707 0.0707
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0137 0.2732 0.2732
Loa Loa (eye worm) hypothetical protein 0.0037 0.0558 0.0558
Brugia malayi beta-lactamase family protein 0.0043 0.0707 0.0707
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0707 0.0707
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Mycobacterium ulcerans hypothetical protein 0.0137 0.2732 0.2565
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0134 0.0134
Leishmania major prostaglandin f synthase, putative 0.0474 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0474 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0474 1 1
Trypanosoma cruzi aldo-keto reductase 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2732 0.2565
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0474 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0924 0.0924
Mycobacterium ulcerans beta-lactamase 0.0043 0.0707 0.0494
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5195 0.5195
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0707 0.0494
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0137 0.2732 0.2732
Entamoeba histolytica aldose reductase, putative 0.0474 1 1
Echinococcus multilocularis aldo keto reductase 0.0474 1 1
Loa Loa (eye worm) oxidoreductase 0.0474 1 1
Schistosoma mansoni aldo-keto reductase 0.0474 1 1
Brugia malayi MH2 domain containing protein 0.0109 0.2119 0.2119
Onchocerca volvulus 0.0474 1 1
Onchocerca volvulus 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0494
Toxoplasma gondii aldose reductase, putative 0.0474 1 1
Echinococcus granulosus GPCR family 2 0.0017 0.0134 0.0134
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0494
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0224 0.0143
Echinococcus multilocularis aldo keto reductase 0.0474 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0474 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3495 0.3346
Schistosoma mansoni hypothetical protein 0.0017 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0021 0.0224 0.0224
Echinococcus multilocularis GPCR, family 2 0.0017 0.0134 0.0134
Plasmodium vivax SET domain protein, putative 0.0036 0.0547 0.0525
Entamoeba histolytica alcohol dehydrogenase, putative 0.0137 0.2732 0.2565
Trichomonas vaginalis aldo/keto reductase, putative 0.0474 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.0494
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0547 0.0547
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Brugia malayi Plexin repeat family protein 0.0017 0.0133 0.0133
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0707 0.0494
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0707 0.0707
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0224 0.0143
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0224 0.0224
Echinococcus granulosus plexin a4 0.002 0.0199 0.0199
Plasmodium falciparum aldehyde reductase, putative 0.0137 0.2732 1
Onchocerca volvulus 0.0043 0.0707 0.0707
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0224 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0547 0.0547
Brugia malayi hypothetical protein 0.002 0.0193 0.0193
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0137 0.2732 0.2565
Echinococcus multilocularis aldehyde reductase 0.0337 0.7036 0.7036
Toxoplasma gondii aldo-keto reductase 0.0137 0.2732 0.2409
Echinococcus granulosus dna polymerase eta 0.0021 0.0224 0.0224
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.3917 0.3777
Echinococcus granulosus aldehyde reductase 0.0337 0.7036 0.7036
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0134 0.0134
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0707 0.0494
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0426 0.0206
Onchocerca volvulus 0.0474 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0137 0.2732 0.2565
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0707 0.0494
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0876 0.0666
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0474 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0707 0.0707
Trichomonas vaginalis esterase, putative 0.0043 0.0707 0.0494
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0137 0.2732 0.2409
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Giardia lamblia Aldose reductase 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0137 0.2732 0.2565
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0707 0.0494
Mycobacterium ulcerans hypothetical protein 0.0043 0.0707 0.0494
Loa Loa (eye worm) MH2 domain-containing protein 0.0109 0.2119 0.2119
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0707 0.0494
Trypanosoma cruzi aldo/keto reductase, putative 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Trypanosoma brucei unspecified product 0.0021 0.0224 0.0143
Brugia malayi beta-lactamase 0.0043 0.0707 0.0707
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0137 0.2732 0.2409
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0547 0.0547
Loa Loa (eye worm) transcription factor SMAD2 0.0109 0.2119 0.2119
Brugia malayi beta-lactamase family protein 0.0043 0.0707 0.0707
Entamoeba histolytica aldose reductase, putative 0.0474 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0707 0.0707
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Schistosoma mansoni pol-related 0.0474 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0137 0.2732 0.2732
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0137 0.2732 0.2565
Brugia malayi plexin A 0.002 0.0199 0.0199
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0474 1 1
Brugia malayi hypothetical protein 0.003 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0474 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3495 0.3346
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Onchocerca volvulus 0.0474 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0134 0.0134
Schistosoma mansoni hypothetical protein 0.0017 0.0134 0.0134
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0224 0.0143
Echinococcus multilocularis voltage gated potassium channel subunit 0.0137 0.2732 0.2732
Echinococcus multilocularis aldo keto reductase 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1118 0.0914
Echinococcus granulosus aldo keto reductase 0.0474 1 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0224 0.0224
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0707 0.0707
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0137 0.2732 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0547 0.0547
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0474 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0134 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Mycobacterium ulcerans lipase LipD 0.0043 0.0707 0.0494
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0224 0.0224
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0224 0.0143
Entamoeba histolytica aldose reductase, putative 0.0474 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0474 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0474 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0707 0.0629
Brugia malayi NADH-dependent xylose reductase 0.0137 0.2732 0.2732
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Echinococcus multilocularis plexin a4 0.002 0.0199 0.0199
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0224 0.0224
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0224 0.0224
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0707 0.0494
Leishmania major hypothetical protein, conserved 0.003 0.0426 0.0206
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0224 0.0224
Mycobacterium tuberculosis Conserved protein 0.0043 0.0707 0.0494
Loa Loa (eye worm) hypothetical protein 0.003 0.0426 0.0426
Loa Loa (eye worm) oxidoreductase 0.0474 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.7644 0.7624
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0547 0.0547
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.7644 0.759
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0137 0.2732 0.2671
Onchocerca volvulus 0.0137 0.2732 0.2732
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5945 0.5852
Plasmodium falciparum aldo-keto reductase, putative 0.0137 0.2732 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0224 0.0224
Schistosoma mansoni potassium channel beta 0.0137 0.2732 0.2732
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0547 0.0547
Schistosoma mansoni aldo-keto reductase 0.0474 1 1
Loa Loa (eye worm) plexin A 0.002 0.0199 0.0199
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0054 0.0924 0.0924
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0134 0.0134
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0707 0.0494
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.7644 0.759
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0707 0.0494
Trypanosoma brucei prostaglandin f synthase 0.0474 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0924 0.0924
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0474 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0474 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0137 0.2732 0.2732
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0474 1 1
Loa Loa (eye worm) oxidoreductase 0.0474 1 1
Mycobacterium leprae Possible oxidoreductase 0.0137 0.2732 0.2179
Loa Loa (eye worm) hypothetical protein 0.0043 0.0707 0.0707
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0707 0.1221

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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