Detailed information for compound 1368886

Basic information

Technical information
  • TDR Targets ID: 1368886
  • Name: (4Z)-4-[(4-bromophenyl)methylidene]-6,7-dimet hoxyisochroman-3-one
  • MW: 375.213 | Formula: C18H15BrO4
  • H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)COC(=O)/C/2=C\c1ccc(cc1)Br
  • InChi: 1S/C18H15BrO4/c1-21-16-8-12-10-23-18(20)15(14(12)9-17(16)22-2)7-11-3-5-13(19)6-4-11/h3-9H,10H2,1-2H3/b15-7-
  • InChiKey: MXFIQQQOZRFJGZ-CHHVJCJISA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-bromophenyl)methylidene]-6,7-dimethoxyisochroman-3-one
  • (4Z)-4-[(4-bromophenyl)methylene]-6,7-dimethoxy-isochroman-3-one
  • 4-[(4-bromophenyl)methylene]-6,7-dimethoxy-isochroman-3-one
  • (4Z)-4-[(4-bromophenyl)methylene]-6,7-dimethoxy-3-isochromanone
  • 4-[(4-bromophenyl)methylene]-6,7-dimethoxy-3-isochromanone
  • (4Z)-4-(4-bromobenzylidene)-6,7-dimethoxy-isochroman-3-one
  • 4-(4-bromobenzylidene)-6,7-dimethoxy-isochroman-3-one
  • (4Z)-4-[(4-bromophenyl)methylidene]-6,7-dimethoxy-isochroman-3-one
  • 4-[(4-bromophenyl)methylidene]-6,7-dimethoxy-isochroman-3-one
  • ZINC05512917
  • 4-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-6,7-dimethoxy-isochroman-3-one
  • MLS000580372
  • SMR000220619

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Loa Loa (eye worm) hypothetical 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
Candida albicans Mitochondrial 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
Neospora caninum hypothetical protein 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein 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 japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin dm0 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi 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
Candida albicans Mitochondrial NADP-specific 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus intermediate filament protein 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase 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
Echinococcus granulosus cytoplasmic intermediate filament 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei isocitrate dehydrogenase, 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi 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
Plasmodium vivax SET domain protein, putative 0.003 0.0187 0.0286
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0051 0.0452 0.0721
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2692 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0223 0.0404
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0916 0.0916
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0223 0.0301
Loa Loa (eye worm) hypothetical protein 0.0051 0.0452 0.0818
Toxoplasma gondii flavodoxin domain-containing protein 0.0025 0.0136 0.0195
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0261 0.0371
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0058 0.0058
Loa Loa (eye worm) flavodoxin family protein 0.002 0.0065 0.0118
Schistosoma mansoni hypothetical protein 0.0034 0.0241 0.0241
Plasmodium vivax hypothetical protein, conserved 0.002 0.0065 0.0065
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0208 0.2368 0.4283
Echinococcus multilocularis pyruvate kinase 0.0033 0.0223 0.0223
Leishmania major pyruvate kinase 0.0033 0.0223 0.0301
Echinococcus granulosus lamin dm0 0.0033 0.0223 0.0223
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0223 0.0352
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0261 0.0371
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.1473 0.2664
Loa Loa (eye worm) hypothetical protein 0.0033 0.0223 0.0404
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 1
Loa Loa (eye worm) gopc protein 0.0448 0.53 0.9587
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0261 0.0746
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0261 0.0261
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0058 0.0105
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0916 0.1657
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0058 0.0058
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0241 0.0436
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.003 0.003
Brugia malayi RNA binding protein 0.0135 0.1473 0.2664
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0571 0.0656
Echinococcus multilocularis pyruvate kinase 0.0026 0.0139 0.0139
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0261 0.0261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0916 0.0916
Plasmodium falciparum nitric oxide synthase, putative 0.0051 0.0452 0.0769
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0017 0.0017
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0187 0.0187
Trypanosoma cruzi p450 reductase, putative 0.0051 0.0452 0.0721
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0051 0.0452 0.0452
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0571 0.0571
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0261 0.0371
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0261 0.0072
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0223 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0187 0.0187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0916 0.1657
Echinococcus granulosus intermediate filament protein 0.0033 0.0223 0.0223
Schistosoma mansoni NADPH flavin oxidoreductase 0.0026 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Onchocerca volvulus 0.0033 0.0223 0.0403
Echinococcus multilocularis tar DNA binding protein 0.0135 0.1473 0.1473
Mycobacterium tuberculosis Conserved protein 0.0036 0.0261 0.0371
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0032 0.0213 0.0213
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0058 0.0052
Giardia lamblia Hypothetical protein 0.0046 0.0381 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0261 0.0072
Loa Loa (eye worm) hypothetical protein 0.003 0.0187 0.0338
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1473 0.1473
Loa Loa (eye worm) TAR-binding protein 0.0135 0.1473 0.2664
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Trichomonas vaginalis sulfite reductase, putative 0.0051 0.0452 0.1474
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0223 0.0301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0916 0.0916
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0223 0.0301
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0261 0.0072
Echinococcus granulosus lamin 0.0033 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0033 0.0223 0.0403
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0571 0.0571
Loa Loa (eye worm) RNA binding protein 0.0135 0.1473 0.2664
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0496 0.0848
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0467 0.5529 1
Onchocerca volvulus 0.003 0.0187 0.0338
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0298 0.3458 0.6235
Brugia malayi Pre-SET motif family protein 0.003 0.0187 0.0338
Echinococcus granulosus pyruvate kinase 0.0033 0.0223 0.0223
Echinococcus granulosus methionine synthase reductase 0.0032 0.0213 0.0213
Onchocerca volvulus 0.0036 0.0261 0.0472
Brugia malayi flavodoxin family protein 0.002 0.0065 0.0118
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0058 0.0105
Brugia malayi beta-lactamase family protein 0.0036 0.0261 0.0472
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 0.5529
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0223 0.0404
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0051 0.0452 0.0721
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0018
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0261 0.0371
Schistosoma mansoni hypothetical protein 0.0333 0.3897 0.3897
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0571 0.0985
Echinococcus granulosus tar DNA binding protein 0.0135 0.1473 0.1473
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0187 0.0187
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0126 0.0126
Echinococcus multilocularis methionine synthase reductase 0.0032 0.0213 0.0213
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.1473 0.2664
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0571 0.0938
Loa Loa (eye worm) hypothetical protein 0.0055 0.0496 0.0897
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0051 0.0452 0.0721
Brugia malayi TAR-binding protein 0.0135 0.1473 0.2664
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0058 0.0052
Brugia malayi isocitrate dehydrogenase 0.0019 0.0058 0.0105
Brugia malayi intermediate filament protein 0.0033 0.0223 0.0403
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0261 0.0371
Toxoplasma gondii ABC1 family protein 0.0036 0.0261 0.0421
Onchocerca volvulus 0.0467 0.5529 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0051 0.0452 0.0452
Echinococcus multilocularis lamin dm0 0.0033 0.0223 0.0223
Echinococcus multilocularis pyruvate kinase 0.0017 0.003 0.003
Mycobacterium leprae Probable lipase LipE 0.0036 0.0261 0.0072
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0018
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0223 0.0301
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0051 0.0452 0.0721
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0223 0.0403
Mycobacterium ulcerans beta-lactamase 0.0036 0.0261 0.0072
Brugia malayi flavodoxin family protein 0.0051 0.0452 0.0818
Schistosoma mansoni pyruvate kinase 0.0033 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0051 0.0452 0.0452
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0038 0.0069
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0103 0.0186
Plasmodium vivax flavodoxin domain containing protein 0.0046 0.0381 0.0639
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0038 0.0069
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0496 0.0848
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0261 0.0072
Schistosoma mansoni hypothetical protein 0.0034 0.0241 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0916 0.0916
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.114 0.2062
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0467 0.5529 1
Trichomonas vaginalis conserved hypothetical protein 0.0222 0.2539 0.9415
Echinococcus multilocularis musashi 0.0033 0.0223 0.0223
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0571 0.0571
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0261 0.0472
Echinococcus multilocularis geminin 0.0333 0.3897 0.3897
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0261 0.0371
Loa Loa (eye worm) hypothetical protein 0.0032 0.0216 0.039
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0223 0.0601
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.114 0.2062
Echinococcus multilocularis lamin 0.0033 0.0223 0.0223
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0261 0.0371
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0467 0.5529 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0213 0.0384
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0571 0.0938
Leishmania major pyruvate kinase 0.0033 0.0223 0.0301
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0467 0.5529 1
Echinococcus granulosus pyruvate kinase 0.0017 0.003 0.003
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0046 0.0381 0.1203
Loa Loa (eye worm) FAD binding domain-containing protein 0.0051 0.0452 0.0818
Leishmania major p450 reductase, putative 0.0051 0.0452 0.0721
Treponema pallidum flavodoxin 0.002 0.0065 0.5
Mycobacterium tuberculosis Conserved protein 0.0036 0.0261 0.0371
Mycobacterium tuberculosis Conserved protein 0.0036 0.0261 0.0371
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0058 0.0058
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0496 0.0848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0187 0.0187
Chlamydia trachomatis pyruvate kinase 0.0033 0.0223 1
Giardia lamblia Nitric oxide synthase, inducible 0.0046 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.2368 0.4283
Mycobacterium ulcerans lipase LipD 0.0036 0.0261 0.0072
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2344 0.424
Loa Loa (eye worm) beta-lactamase 0.0036 0.0261 0.0472
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0261 0.0746
Brugia malayi hypothetical protein 0.0222 0.2539 0.4592
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0496 0.08
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0058 0.0058
Brugia malayi hypothetical protein 0.0055 0.0496 0.0897
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0916 0.0916
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0261 0.0746
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0058 0.0058
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0223 0.0403
Schistosoma mansoni hypothetical protein 0.0034 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0031
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0223 0.0404
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0223 0.0403
Echinococcus multilocularis thymidylate synthase 0.0467 0.5529 0.5529
Loa Loa (eye worm) hypothetical protein 0.0034 0.0241 0.0436
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0261 0.0746
Echinococcus multilocularis GPCR, family 2 0.0034 0.0241 0.0241
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0241 0.0241
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0571 0.0656
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0051 0.0452 0.0432
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2609 0.4664
Leishmania major hypothetical protein, conserved 0.002 0.0065 0.0013
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0223 0.0404
Onchocerca volvulus 0.0033 0.0223 0.0403
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0058 0.0052
Brugia malayi FAD binding domain containing protein 0.0032 0.0213 0.0384
Echinococcus granulosus GPCR family 2 0.0034 0.0241 0.0241
Brugia malayi N-terminal motif family protein 0.0208 0.2368 0.4283
Brugia malayi beta-lactamase 0.0036 0.0261 0.0472
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0241 0.0436
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.002 0.0065 0.0065
Leishmania major cytochrome P450 reductase, putative 0.0046 0.0381 0.059
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0571 0.0571
Loa Loa (eye worm) hypothetical protein 0.0074 0.0724 0.131
Trichomonas vaginalis esterase, putative 0.0036 0.0261 0.0746
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0223 0.0301
Echinococcus granulosus geminin 0.0333 0.3897 0.3897
Mycobacterium tuberculosis Hypothetical protein 0.0222 0.2539 0.4534
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0261 0.0746
Brugia malayi FAD binding domain containing protein 0.0051 0.0452 0.0818
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0261 0.0371
Echinococcus granulosus pyruvate kinase 0.0017 0.003 0.003
Schistosoma mansoni lamin 0.0033 0.0223 0.0223
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0187 0.0187
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0126 0.0126
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0261 0.0421
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Plasmodium falciparum pyruvate kinase 0.0033 0.0223 0.0352
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0051 0.0452 0.0721
Schistosoma mansoni diflavin oxidoreductase 0.0025 0.0136 0.0136
Brugia malayi gopc protein 0.0448 0.53 0.9587
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0186
Giardia lamblia Pyruvate kinase 0.0033 0.0223 0.5507
Loa Loa (eye worm) hypothetical protein 0.0036 0.0261 0.0472
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0173 0.0173
Mycobacterium ulcerans thymidylate synthase 0.0467 0.5529 1
Schistosoma mansoni hypothetical protein 0.0333 0.3897 0.3897
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0916 0.0916
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0058 0.0058
Schistosoma mansoni pyruvate kinase 0.0017 0.003 0.003
Brugia malayi hypothetical protein 0.0035 0.0258 0.0467
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0261 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1473 0.1473
Schistosoma mansoni lamin 0.0033 0.0223 0.0223
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0261 0.0472
Echinococcus granulosus thymidylate synthase 0.0467 0.5529 0.5529
Echinococcus multilocularis pyruvate kinase 0.0033 0.0223 0.0223
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0051 0.0452 0.0721
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0187 0.0286
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0261 0.0371
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0058 0.0052
Schistosoma mansoni cytochrome P450 reductase 0.0051 0.0452 0.0452
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0241 0.0241
Echinococcus granulosus pyruvate kinase 0.0033 0.0223 0.0223
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0058 0.0058
Onchocerca volvulus 0.0235 0.2692 0.487
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0241 0.0241
Schistosoma mansoni pyruvate kinase 0.0033 0.0223 0.0223
Leishmania major hypothetical protein, conserved 0.0036 0.0261 0.0371
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1473 0.1473
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.002 0.0065 0.0013
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0223 0.0404
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.114 0.2062
Brugia malayi beta-lactamase family protein 0.0036 0.0261 0.0472
Toxoplasma gondii flavodoxin domain-containing protein 0.0025 0.0136 0.0195
Leishmania major hypothetical protein, conserved 0.0055 0.0496 0.08
Brugia malayi thymidylate synthase 0.0467 0.5529 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0571 0.0656
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0223 0.0404
Schistosoma mansoni intermediate filament proteins 0.0033 0.0223 0.0223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0916 0.0916
Schistosoma mansoni hypothetical protein 0.0074 0.0724 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1473 0.1473
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.002 0.0065 0.0013
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0051 0.0452 0.0721
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0496 0.08
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.002 0.0065 0.0013
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0051 0.0452 0.0452
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0187 0.0187
Loa Loa (eye worm) thymidylate synthase 0.0467 0.5529 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0223 0.0404
Loa Loa (eye worm) hypothetical protein 0.0108 0.114 0.2062
Echinococcus granulosus pyruvate kinase 0.0017 0.003 0.003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0222 0.2539 0.4534
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0261 0.0261
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.002 0.0065 0.0013
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0496 0.0848
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0261 0.0261
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0241 0.0241
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0241 0.0436
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0724 0.131
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.002 0.0065 0.0065
Echinococcus multilocularis pyruvate kinase 0.0017 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0034 0.0241 0.0241
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0223 0.0601
Brugia malayi Pre-SET motif family protein 0.0206 0.2344 0.424
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0051 0.0452 0.0769
Onchocerca volvulus 0.0036 0.0261 0.0472
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1473 0.1473
Schistosoma mansoni hypothetical protein 0.0025 0.0126 0.0126
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0103 1
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0223 0.0352
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0051 0.0452 0.0721
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0496 0.08
Onchocerca volvulus 0.0036 0.0261 0.0472

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4611 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) 2.5929 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
Saccharomyces cerevisiae ChEMBL23
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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