Detailed information for compound 1450750

Basic information

Technical information
  • TDR Targets ID: 1450750
  • Name: 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]eth yl]isoindole-1,3-dione
  • MW: 348.418 | Formula: C20H16N2O2S
  • H donors: 0 H acceptors: 3 LogP: 3.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(CCc2csc(n2)c2ccc(cc2)C)C(=O)c2c1cccc2
  • InChi: 1S/C20H16N2O2S/c1-13-6-8-14(9-7-13)18-21-15(12-25-18)10-11-22-19(23)16-4-2-3-5-17(16)20(22)24/h2-9,12H,10-11H2,1H3
  • InChiKey: ZXRDSEKYRJQASD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-[2-(4-methylphenyl)thiazol-4-yl]ethyl]isoindoline-1,3-dione
  • 2-[2-[2-(4-methylphenyl)-4-thiazolyl]ethyl]isoindoline-1,3-dione
  • 2-[2-[2-(4-methylphenyl)thiazol-4-yl]ethyl]isoindoline-1,3-quinone
  • 12W-0274
  • ZINC01385113
  • 2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
  • MLS000547284
  • SMR000180382

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis methionine--tRNA ligase 0.0022 0.0052 0.0196
Schistosoma mansoni methionine-tRNA synthetase 0.0058 0.0339 0.0455
Schistosoma mansoni tar DNA-binding protein 0.0507 0.3921 0.575
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0162 0.0194
Schistosoma mansoni hypothetical protein 0.0401 0.3078 0.4505
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0135 0.0135
Brugia malayi MH2 domain containing protein 0.0075 0.0473 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0507 0.3921 0.575
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0128 0.0895 0.8059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0162 0.0194
Schistosoma mansoni intermediate filament proteins 0.0033 0.0135 0.0153
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0128 0.0895 0.2284
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Echinococcus granulosus lamin 0.0033 0.0135 0.0343
Echinococcus multilocularis GPCR, family 2 0.0401 0.3078 0.7851
Brugia malayi Smad1 0.0075 0.0473 0.0468
Brugia malayi isocitrate dehydrogenase 0.0128 0.0895 0.089
Loa Loa (eye worm) latrophilin receptor protein 2 0.0401 0.3078 0.3078
Echinococcus granulosus GPCR family 2 0.0401 0.3078 0.7851
Plasmodium falciparum methionine--tRNA ligase 0.0058 0.0339 0.2872
Echinococcus granulosus lamin dm0 0.0033 0.0135 0.0343
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0128 0.0895 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0052 0.0031
Schistosoma mansoni hypothetical protein 0.0867 0.6796 1
Loa Loa (eye worm) Smad1 0.0075 0.0473 0.0473
Toxoplasma gondii hypothetical protein 0.0053 0.0298 0.2491
Brugia malayi Pre-SET motif family protein 0.0251 0.1881 0.1876
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0154 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0142 0.0142
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0101 0.068 0.6053
Brugia malayi hypothetical protein 0.002 0.0031 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.1101 0.8662 0.8662
Schistosoma mansoni methionine-tRNA synthetase 0.0022 0.0052 0.0031
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0162 0.0414
Brugia malayi hypothetical protein 0.002 0.0031 0.0025
Leishmania major hypothetical protein, conserved 0.0025 0.0078 0.0308
Echinococcus granulosus geminin 0.0205 0.1508 0.3846
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1881 0.1881
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0058 0.0339 0.1448
Onchocerca volvulus 0.0033 0.0135 0.0488
Echinococcus granulosus smad 0.0075 0.0473 0.1207
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0022 0.0052 0.0132
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0036 0.0162 0.0162
Loa Loa (eye worm) MH2 domain-containing protein 0.0075 0.0473 0.0473
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2183
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0058 0.0339 0.2872
Loa Loa (eye worm) nuclear factor I 0.0041 0.0206 0.0206
Schistosoma mansoni Smad4 0.0075 0.0473 0.0654
Brugia malayi MH1 domain containing protein 0.0075 0.0473 0.0468
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0078 0.0438
Brugia malayi Latrophilin receptor protein 2 0.0401 0.3078 0.3074
Echinococcus multilocularis mothers against decapentaplegic 5 0.0075 0.0473 0.1207
Echinococcus granulosus intermediate filament protein 0.0033 0.0135 0.0343
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0154 0.1104 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2183
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0128 0.0895 1
Giardia lamblia Methionyl-tRNA synthetase 0.0058 0.0339 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Brugia malayi MH1 domain containing protein 0.0041 0.0206 0.02
Echinococcus granulosus Smad4 0.0075 0.0473 0.1207
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0128 0.0895 1
Brugia malayi Isocitrate dehydrogenase 0.0128 0.0895 0.089
Schistosoma mansoni Smad4 0.0034 0.0142 0.0165
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0401 0.3078 0.3074
Echinococcus granulosus TGF beta signal transducer SmadC 0.0075 0.0473 0.1207
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0058 0.0339 0.2872
Echinococcus multilocularis tar DNA binding protein 0.0507 0.3921 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0058 0.0339 0.3563
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0162 0.0414
Chlamydia trachomatis leucine--tRNA ligase 0.0022 0.0052 0.0196
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0162 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2158 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0078 0.0438
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0128 0.0895 0.2284
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0135 0.0129
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0401 0.3078 0.7851
Echinococcus multilocularis isocitrate dehydrogenase 0.0128 0.0895 0.2284
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0058 0.0339 0.3563
Schistosoma mansoni hypothetical protein 0.0401 0.3078 0.4505
Loa Loa (eye worm) MH2 domain-containing protein 0.1101 0.8662 0.8662
Echinococcus granulosus mothers against decapentaplegic 6 0.0034 0.0142 0.0363
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0128 0.0895 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0128 0.0895 0.1278
Loa Loa (eye worm) hypothetical protein 0.0867 0.6796 0.6796
Brugia malayi hypothetical protein 0.0025 0.0078 0.0072
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0078 0.0543
Schistosoma mansoni Smad4 0.0034 0.0142 0.0165
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0014 0.0008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0078 0.0078
Brugia malayi mothers against decapentaplegic homolog 3 0.0034 0.0142 0.0136
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0154 0.1104 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0128 0.0895 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0142 0.0142
Brugia malayi methionyl-tRNA synthetase 0.0022 0.0052 0.0046
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.1283 0.5888
Schistosoma mansoni lamin 0.0033 0.0135 0.0153
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0298 0.2491
Echinococcus multilocularis smad 0.0075 0.0473 0.1207
Brugia malayi protein ZK524.3 0.0022 0.0052 0.0046
Loa Loa (eye worm) TAR-binding protein 0.0507 0.3921 0.3921
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0162 0.1226
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0401 0.3078 0.7851
Onchocerca volvulus 0.0036 0.0162 0.0615
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0031 0.0025
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0154 0.1104 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0128 0.0895 0.8059
Schistosoma mansoni smad1 5 8 and 0.0075 0.0473 0.0654
Brugia malayi RNA binding protein 0.0507 0.3921 0.3917
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0022 0.0052 1
Plasmodium falciparum methionine--tRNA ligase, putative 0.0022 0.0052 0.0196
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0078 0.0438
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0152 0.0387
Echinococcus multilocularis geminin 0.0205 0.1508 0.3846
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0401 0.3078 0.7851
Schistosoma mansoni hypothetical protein 0.0401 0.3078 0.4505
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Brugia malayi intermediate filament protein 0.0033 0.0135 0.0129
Brugia malayi Pre-SET motif family protein 0.0036 0.0162 0.0157
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0031
Toxoplasma gondii tRNA ligases class I (M) protein 0.0022 0.0052 0.0196
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0052 0.0196
Echinococcus granulosus nibrin 0.002 0.0031 0.0079
Plasmodium vivax SET domain protein, putative 0.0036 0.0162 0.1226
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0031 0.0079
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0052 0.0132
Brugia malayi MH1 domain containing protein 0.0075 0.0473 0.0468
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0022 0.0052 0.0196
Loa Loa (eye worm) hypothetical protein 0.0041 0.0206 0.0206
Brugia malayi TAR-binding protein 0.0507 0.3921 0.3917
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0034 0.0142 0.0523
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0135 0.0135
Echinococcus multilocularis Smad4 0.0075 0.0473 0.1207
Brugia malayi MH2 domain containing protein 0.0075 0.0473 0.0468
Loa Loa (eye worm) hypothetical protein 0.0022 0.0052 0.0052
Echinococcus granulosus mothers against decapentaplegic 5 0.0075 0.0473 0.1207
Loa Loa (eye worm) hypothetical protein 0.1268 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0154 0.1104 0.2815
Echinococcus multilocularis lamin 0.0033 0.0135 0.0343
Schistosoma mansoni tar DNA-binding protein 0.0507 0.3921 0.575
Echinococcus granulosus peptidase Clp S14 family 0.0101 0.068 0.1735
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0162 0.0194
Loa Loa (eye worm) hypothetical protein 0.0036 0.0162 0.0162
Brugia malayi topoisomerase 0.002 0.0031 0.0025
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0053 0.0298 0.2491
Schistosoma mansoni smad 0.0075 0.0473 0.0654
Treponema pallidum leucyl-tRNA synthetase 0.0022 0.0052 0.0196
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0058 0.0339 0.2872
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1268 1 1
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0058 0.0339 0.2872
Schistosoma mansoni smad1 5 8 and 0.0075 0.0473 0.0654
Echinococcus multilocularis lamin dm0 0.0033 0.0135 0.0343
Brugia malayi Calcitonin receptor-like protein seb-1 0.1268 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0162 0.0194
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0154 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0052 0.0052
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0053 0.0298 0.2491
Treponema pallidum methionyl-tRNA synthetase 0.0022 0.0052 0.0196
Schistosoma mansoni tar DNA-binding protein 0.0507 0.3921 0.575
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0075 0.0473 0.1207
Brugia malayi latrophilin 2 splice variant baaae 0.0867 0.6796 0.6794
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0507 0.3921 0.3921
Onchocerca volvulus 0.0286 0.2158 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0101 0.068 0.1735
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0101 0.068 0.6132
Brugia malayi MH2 domain containing protein 0.0034 0.0142 0.0136
Loa Loa (eye worm) hypothetical protein 0.0154 0.1104 0.1104
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0022 0.0052 0.0132
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0053 0.0298 0.2491
Echinococcus multilocularis nibrin 0.002 0.0031 0.0079
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0014 0.0014
Schistosoma mansoni peptidase Clp (S14 family) 0.0154 0.1104 0.1586
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0101 0.068 0.6132
Echinococcus granulosus tar DNA binding protein 0.0507 0.3921 1
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0058 0.0339 0.0339
Brugia malayi DKFZp564C0469 protein 0.002 0.0031 0.0025
Brugia malayi N-terminal motif family protein 0.0176 0.1283 0.1278
Toxoplasma gondii methionyl-tRNA synthetase 0.0058 0.0339 0.2872
Echinococcus multilocularis musashi 0.0033 0.0135 0.0343
Brugia malayi MH2 domain containing protein 0.1101 0.8662 0.8661
Loa Loa (eye worm) hypothetical protein 0.0033 0.0135 0.0135
Echinococcus multilocularis methionine tRNA synthetase 0.0058 0.0339 0.0864
Plasmodium vivax methionine--tRNA ligase, putative 0.0022 0.0052 0.0196
Loa Loa (eye worm) hypothetical protein 0.0401 0.3078 0.3078
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0142 0.0142
Loa Loa (eye worm) MH1 domain-containing protein 0.0075 0.0473 0.0473
Schistosoma mansoni lamin 0.0033 0.0135 0.0153
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0022 0.0052 0.0196
Echinococcus granulosus mothers against decapentaplegic 2 0.0034 0.0142 0.0363
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0078 0.0438
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0154 0.1104 0.2815
Schistosoma mansoni hypothetical protein 0.0401 0.3078 0.4505
Toxoplasma gondii isocitrate dehydrogenase 0.0128 0.0895 0.8059
Onchocerca volvulus 0.0033 0.0135 0.0488
Onchocerca volvulus 0.0036 0.0162 0.0618
Toxoplasma gondii isocitrate dehydrogenase 0.0128 0.0895 0.8059
Schistosoma mansoni smad1 5 8 and 0.0075 0.0473 0.0654
Brugia malayi methionyl-tRNA synthetase 0.0058 0.0339 0.0333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0128 0.0895 0.2284
Loa Loa (eye worm) hypothetical protein 0.0032 0.013 0.013
Schistosoma mansoni tar DNA-binding protein 0.0507 0.3921 0.575
Echinococcus multilocularis mothers against decapentaplegic 6 0.0034 0.0142 0.0363
Brugia malayi Probable ClpP-like protease 0.0154 0.1104 0.1099
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0128 0.0895 0.2284
Brugia malayi MH1 domain containing protein 0.0041 0.0206 0.02
Schistosoma mansoni smad 0.0034 0.0142 0.0165
Giardia lamblia Leucyl-tRNA synthetase 0.0022 0.0052 0.0681
Loa Loa (eye worm) RNA binding protein 0.0507 0.3921 0.3921
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0031 0.0025
Echinococcus granulosus replication factor c subunit 1 0.002 0.0031 0.0079
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0128 0.0895 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0052 0.0052
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0078 0.0543
Brugia malayi RNA recognition motif domain containing protein 0.0507 0.3921 0.3917
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0401 0.3078 0.7851
Leishmania major methionyl-tRNA synthetase, putative 0.0058 0.0339 0.3403
Loa Loa (eye worm) isocitrate dehydrogenase 0.0128 0.0895 0.0895
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0075 0.0473 0.0654
Loa Loa (eye worm) hypothetical protein 0.0176 0.1283 0.1283
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0128 0.0895 0.2284
Echinococcus multilocularis mothers against decapentaplegic 2 0.0034 0.0142 0.0363
Echinococcus granulosus methionine tRNA synthetase 0.0058 0.0339 0.0864
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0078 0.0543

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0522 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) 4.4668 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) 4.6535 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) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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 (functional) 22.3872 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 42.5615 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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