Detailed information for compound 372511

Basic information

Technical information
  • TDR Targets ID: 372511
  • Name: 4-bromo-3-(carboxymethyloxy)-5-(1H-indol-6-yl )thiophene-2-carboxylic acid
  • MW: 396.213 | Formula: C15H10BrNO5S
  • H donors: 3 H acceptors: 4 LogP: 3.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1c(sc(c1Br)c1ccc2c(c1)[nH]cc2)C(=O)O
  • InChi: 1S/C15H10BrNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-2-1-7-3-4-17-9(7)5-8/h1-5,17H,6H2,(H,18,19)(H,20,21)
  • InChiKey: GLRIHXMJRAAYHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-bromo-3-(carboxymethyloxy)-5-(1H-indol-6-yl)-2-thiophenecarboxylic acid
  • 4-bromo-3-(carboxymethyloxy)-5-(1H-indol-6-yl)-2-thenoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, non-receptor type 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_133865 All targets in OG5_133865
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0036 0.0094 0.0118
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0033
Plasmodium falciparum hexose transporter 0.0222 0.2127 0.2093
Trichomonas vaginalis glucose transporter, putative 0.0069 0.0453 0.1973
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0067 0.0429 0.0883
Schistosoma mansoni lipoxygenase 0.0054 0.029 0.0579
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0229 0.0435
Echinococcus granulosus pyruvate kinase 0.0033 0.0057 0.0034
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Trichomonas vaginalis CAMK family protein kinase 0.0068 0.0449 0.1951
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0078 0.055 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0453 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Entamoeba histolytica cell division protein kinase 2, putative 0.0048 0.022 0.3559
Loa Loa (eye worm) glutamate receptor 1 0.007 0.0467 0.1057
Schistosoma mansoni protein kinase 0.0036 0.0094 0.0121
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0057 0.0015
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0068 0.0449 0.1016
Echinococcus granulosus nmda type glutamate receptor 0.025 0.243 0.5581
Brugia malayi metabotropic glutamate receptor type 2 0.0036 0.0094 0.0118
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.022 0.0854
Echinococcus granulosus glutamate receptor subunit protein glur 0.007 0.0467 0.0993
Echinococcus multilocularis General substrate transporter 0.0191 0.1786 0.4074
Echinococcus granulosus glutamate receptor 2 0.0106 0.086 0.191
Brugia malayi hypothetical protein 0.0432 0.442 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.007 0.0467 0.0993
Loa Loa (eye worm) hypothetical protein 0.0054 0.0292 0.0662
Entamoeba histolytica protein kinase, putative 0.0068 0.0449 1
Schistosoma mansoni metabotropic glutamate receptor 0.0036 0.0094 0.0121
Brugia malayi Glutamate receptor 1 precursor 0.007 0.0467 0.097
Loa Loa (eye worm) glutamate receptor 0.0036 0.0094 0.0213
Loa Loa (eye worm) hypothetical protein 0.005 0.0243 0.0549
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Plasmodium falciparum protein kinase 7 0.0628 0.6559 0.6544
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.007 0.0467 0.0993
Brugia malayi Metabotropic glutamate receptor precursor. 0.0036 0.0094 0.0118
Schistosoma mansoni protein kinase 0.0068 0.0449 0.095
Echinococcus multilocularis cyclin dependent kinase 0.0048 0.022 0.0416
Echinococcus granulosus General substrate transporter 0.0191 0.1786 0.4074
Echinococcus granulosus lysyl tRNA synthetase 0.005 0.0243 0.0468
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0423 0.4321 0.9774
Echinococcus multilocularis calcium dependent protein kinase 0.0064 0.0398 0.0831
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Loa Loa (eye worm) hypothetical protein 0.0067 0.0429 0.097
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Brugia malayi lysyl-tRNA synthetase 0.005 0.0243 0.0458
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0057 0.0289
Schistosoma mansoni hypothetical protein 0.007 0.0467 0.0993
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Loa Loa (eye worm) hypothetical protein 0.0432 0.442 1
Trypanosoma brucei glucose transporter 2A 0.0069 0.0453 0.8107
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0057 0.0289
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.022 0.0854
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Giardia lamblia Kinase, CMGC CDK 0.0048 0.022 0.4604
Toxoplasma gondii facilitative glucose transporter GT1 0.0222 0.2127 0.3199
Echinococcus granulosus pyruvate kinase 0.0033 0.0057 0.0034
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.022 0.351
Plasmodium falciparum calcium-dependent protein kinase 5 0.0069 0.0449 0.0409
Brugia malayi Cam kinase protein 1 0.0068 0.0449 0.0929
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0067 0.0429 0.9434
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0069 0.0449 0.0625
Schistosoma mansoni glutamate receptor kainate 0.007 0.0467 0.0993
Giardia lamblia Lysyl-tRNA synthetase 0.005 0.0243 0.5182
Echinococcus multilocularis cyclin dependent kinase 5 0.0048 0.022 0.0416
Brugia malayi Protein kinase domain containing protein 0.0048 0.022 0.0407
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0057 0.0289
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0453 0.1973
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Echinococcus granulosus glutamate receptor 2 0.0036 0.0094 0.0121
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0069 0.0449 0.0409
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.022 0.0416
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0068 0.0449 0.1016
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0129
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0106 0.086 0.191
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.029 0.0579
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0106 0.086 0.191
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0078 0.055 1
Echinococcus multilocularis lysyl tRNA synthetase 0.005 0.0243 0.0468
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0068 0.0449 0.8019
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0057 0.0022
Trypanosoma cruzi cdc2-related kinase 3 0.0048 0.022 0.351
Schistosoma mansoni glucose transport protein 0.0222 0.2127 0.4871
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0068 0.0449 0.095
Mycobacterium ulcerans lysyl-tRNA synthetase 0.005 0.0243 0.1235
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.007 0.0467 0.0993
Echinococcus multilocularis Protein lozenge 0.0054 0.0293 0.0586
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0036 0.0094 0.0213
Schistosoma mansoni pyruvate kinase 0.0033 0.0057 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0222 0.2127 1
Plasmodium falciparum protein kinase 5 0.0048 0.022 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0453 0.1973
Onchocerca volvulus 0.0048 0.0229 0.0426
Leishmania major glucose transporter, lmgt1 0.0069 0.0453 0.8107
Brugia malayi Glutamate receptor 2 precursor 0.007 0.0467 0.097
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0453 0.1973
Loa Loa (eye worm) hypothetical protein 0.0033 0.0057 0.0129
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.005 0.0243 0.395
Trypanosoma cruzi hexose transporter 0.0069 0.0453 0.8107
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.022 0.0854
Plasmodium falciparum lysine--tRNA ligase 0.005 0.0243 0.0201
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Echinococcus granulosus tumor protein p63 0.033 0.3304 0.7623
Brugia malayi Guanylyl cyclase protein 23 0.0036 0.0094 0.0118
Loa Loa (eye worm) runx1 0.0054 0.0293 0.0664
Loa Loa (eye worm) glutamate receptor 2 0.007 0.0467 0.1057
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0057 0.0033
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0129
Echinococcus granulosus glutamate NMDA receptor subunit 0.007 0.0467 0.0993
Trichomonas vaginalis glucose transporter, putative 0.0069 0.0453 0.1973
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0057 0.0289
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.055 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0036 0.0094 0.0121
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.022 0.0416
Loa Loa (eye worm) hypothetical protein 0.0432 0.442 1
Schistosoma mansoni protein kinase 0.0068 0.0449 0.095
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0042 0.0161 0.0732
Brugia malayi cell division control protein 2 homolog 0.0048 0.022 0.0407
Giardia lamblia Prolyl-tRNA synthetase 0.0067 0.0429 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0067 0.0429 0.0903
Loa Loa (eye worm) major facilitator superfamily transporter 0.0031 0.0042 0.0096
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0048 0.022 0.351
Plasmodium falciparum calcium-dependent protein kinase 1 0.0069 0.0449 0.0409
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0423 0.4321 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0036 0.0094 0.0121
Onchocerca volvulus 0.0036 0.0094 0.0118
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0048 0.022 0.0416
Echinococcus granulosus receptor type guanylyl cyclase 0.0036 0.0094 0.0121
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Echinococcus multilocularis glutamate receptor 2 0.0106 0.086 0.191
Echinococcus multilocularis cyclin dependent kinase 1 0.0048 0.022 0.0416
Echinococcus multilocularis pyruvate kinase 0.0033 0.0057 0.0034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0423 0.4321 1
Echinococcus granulosus nmda type glutamate receptor 0.0036 0.0094 0.0121
Echinococcus granulosus cyclin dependent kinase 5 0.0048 0.022 0.0416
Brugia malayi Sugar transporter family protein 0.0222 0.2127 0.4761
Giardia lamblia Kinase, CMGC CDK 0.0048 0.022 0.4604
Plasmodium vivax CDK-related protein kinase 6, putative 0.0943 1 1
Entamoeba histolytica hypothetical protein 0.005 0.0243 0.4188
Schistosoma mansoni protein kinase 0.0068 0.0449 0.095
Toxoplasma gondii lysine-tRNA ligase 0.005 0.0243 0.0307
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.022 0.351
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0033
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.007 0.0467 0.0993
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0453 0.1973
Schistosoma mansoni hypothetical protein 0.0222 0.2127 0.4871
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Schistosoma mansoni glutamate receptor AMPA 0.007 0.0467 0.0993
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0453 0.8107
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Loa Loa (eye worm) sugar transporter 0.0031 0.0042 0.0096
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.007 0.0467 0.0993
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0069 0.0449 0.0409
Plasmodium vivax hexose transporter 0.0222 0.2127 0.2093
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0078 0.055 0.0778
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0057 0.0033
Chlamydia trachomatis lysine--tRNA ligase 0.005 0.0243 0.1155
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0036 0.0094 0.0121
Trypanosoma cruzi extracellular receptor, putative 0.0036 0.0094 0.1018
Chlamydia trachomatis glutamine binding protein 0.018 0.1664 1
Onchocerca volvulus 0.0432 0.442 1
Trypanosoma brucei glucose transporter 1E 0.0069 0.0453 0.8107
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0453 0.8107
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0106 0.086 0.191
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0067 0.0429 0.0903
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.025 0.243 0.5581
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0222 0.2127 0.4871
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0057 0.009
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0057 0.007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Schistosoma mansoni lysyl-tRNA synthetase 0.005 0.0243 0.0468
Schistosoma mansoni tyrosine kinase 0.0036 0.0094 0.0121
Echinococcus granulosus atrial natriuretic peptide receptor 0.0036 0.0094 0.0121
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0069 0.0449 0.0409
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0453 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0112 0.1383
Schistosoma mansoni glutamate receptor AMPA 0.007 0.0467 0.0993
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.022 0.0498
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0359 0.3625 0.3598
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Echinococcus granulosus metabotropic glutamate receptor 2 0.0036 0.0094 0.0121
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0067 0.0429 1
Plasmodium vivax proline--tRNA ligase, putative 0.0078 0.055 0.0509
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Schistosoma mansoni glutamate receptor kainate 0.007 0.0467 0.0993
Plasmodium falciparum mitogen-activated protein kinase 2 0.0359 0.3625 0.3598
Schistosoma mansoni glutamate receptor kainate 0.007 0.0467 0.0993
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0036 0.0094 0.0121
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0042 0.0161 0.0732
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0067 0.0429 0.0883
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0069 0.0449 0.0625
Echinococcus multilocularis NMDA receptor 0.007 0.0467 0.0993
Plasmodium falciparum pyruvate kinase 0.0033 0.0057 0.0015
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0067 0.0429 0.1855
Echinococcus granulosus cyclin dependent kinase 1 0.0048 0.022 0.0416
Echinococcus multilocularis nmda type glutamate receptor 0.025 0.243 0.5581
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0423 0.4321 0.9776
Schistosoma mansoni ATP-binding cassette transporter 0.007 0.0467 0.0993
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0057 0.0129
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.018 0.1664 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0048 0.022 0.351
Echinococcus multilocularis tyrosine kinase 0.0036 0.0094 0.0121
Schistosoma mansoni glucose transport protein 0.0222 0.2127 0.4871
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0106 0.086 0.191
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0423 0.4321 1
Toxoplasma gondii protein kinase, putative 0.0628 0.6559 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.018 0.1664 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0106 0.086 0.191
Loa Loa (eye worm) hypothetical protein 0.0048 0.0229 0.0517
Trypanosoma brucei cdc2-related kinase 1 0.0048 0.022 0.351
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.055 1
Leishmania major glucose transporter, lmgt2 0.0069 0.0453 0.8107
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0359 0.3625 0.5499
Echinococcus multilocularis receptor type guanylyl cyclase 0.0036 0.0094 0.0121
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0222 0.2127 0.4871
Loa Loa (eye worm) hypothetical protein 0.0068 0.0449 0.1016
Loa Loa (eye worm) RGC/RGC protein kinase 0.0036 0.0094 0.0213
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0043 0.0176 0.0641
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.005 0.0243 0.0961
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0031 0.0042 0.5
Mycobacterium ulcerans lysyl-tRNA synthetase 0.005 0.0243 0.1235
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0048 0.022 0.0498
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0169 0.0382
Trypanosoma brucei THT1 - hexose transporter, putative 0.0069 0.0453 0.8107
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0057 0.007
Leishmania major pyruvate kinase 0.0033 0.0057 0.0289
Loa Loa (eye worm) hypothetical protein 0.0067 0.0429 0.097
Onchocerca volvulus 0.0036 0.0094 0.0118
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.007 0.0467 0.0993
Echinococcus multilocularis glutamate receptor subunit protein glur 0.007 0.0467 0.0993
Echinococcus multilocularis tumor protein p63 0.033 0.3304 0.7623
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0036 0.0094 0.0118
Schistosoma mansoni lozenge 0.0054 0.0293 0.0586
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.018 0.1664 0.5
Plasmodium falciparum proline--tRNA ligase 0.0078 0.055 0.0509
Echinococcus multilocularis nmda type glutamate receptor 0.0036 0.0094 0.0121
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0067 0.0429 0.0903
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Plasmodium falciparum calcium-dependent protein kinase 2 0.0069 0.0449 0.0409
Loa Loa (eye worm) RGC/RGC protein kinase 0.0036 0.0094 0.0213
Echinococcus granulosus cyclin dependent kinase 0.0048 0.022 0.0416
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0048 0.022 0.0498
Plasmodium falciparum calcium-dependent protein kinase 4 0.0069 0.0449 0.0409
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0068 0.0449 0.095
Loa Loa (eye worm) major facilitator superfamily transporter 0.0031 0.0042 0.0096
Brugia malayi Receptor family ligand binding region containing protein 0.0036 0.0094 0.0118
Entamoeba histolytica cell division protein kinase 2, putative 0.0048 0.022 0.3559
Trichomonas vaginalis sugar transporter, putative 0.0069 0.0453 0.1973
Entamoeba histolytica protein kinase, putative 0.0068 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Leishmania major pyruvate kinase 0.0033 0.0057 0.0289
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0449 0.095
Plasmodium falciparum calcium-dependent protein kinase 3 0.0069 0.0449 0.0409
Echinococcus multilocularis pyruvate kinase 0.0033 0.0057 0.0034
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.005 0.0243 0.395
Trypanosoma brucei glucose transporter, putative 0.0069 0.0453 0.8107
Schistosoma mansoni metabotropic glutamate receptor 0.0036 0.0094 0.0121
Echinococcus granulosus calcium dependent protein kinase 0.0064 0.0398 0.0831
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.029 0.0579
Echinococcus multilocularis glutamate receptor 2 0.007 0.0467 0.0993
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0042 0.0161 0.2798
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0067 0.0429 0.0903
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0068 0.0449 0.0929
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0048 0.022 0.0273
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0106 0.086 0.191
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.005 0.0243 0.4992
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0106 0.086 0.191
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0069 0.0449 0.0625
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0057 0.0033
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.018 0.1664 1
Loa Loa (eye worm) sugar transporter 0.0222 0.2127 0.4811
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0036 0.0094 0.0213
Schistosoma mansoni pyruvate kinase 0.0033 0.0057 0.0034
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0057 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.022 0.0416
Plasmodium vivax lysine--tRNA ligase, putative 0.005 0.0243 0.0201
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0094 0.0121
Schistosoma mansoni glutamate receptor NMDA 0.0106 0.086 0.191
Brugia malayi Receptor family ligand binding region containing protein 0.0036 0.0094 0.0118
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0106 0.086 0.191
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Leishmania major protein kinase, putative 0.0068 0.0449 0.8019
Leishmania major extracellular receptor, putative 0.0036 0.0094 0.1018
Schistosoma mansoni lysyl-tRNA synthetase 0.005 0.0243 0.0468
Loa Loa (eye worm) hypothetical protein 0.0036 0.0094 0.0213
Schistosoma mansoni tyrosine kinase 0.0036 0.0094 0.0121
Leishmania major glucose transporter/membrane transporter D2, putative 0.0069 0.0453 0.8107
Giardia lamblia Pyruvate kinase 0.0033 0.0057 0.0379
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Trypanosoma cruzi hexose transporter, putative 0.0069 0.0453 0.8107
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0036 0.0094 0.0213
Schistosoma mansoni glucose transport protein 0.0222 0.2127 0.4871
Plasmodium vivax protein kinase Crk2 0.0048 0.022 0.0179
Loa Loa (eye worm) RGC/RGC protein kinase 0.0036 0.0094 0.0213
Echinococcus granulosus tyrosine kinase 0.0036 0.0094 0.0121
Brugia malayi hypothetical protein 0.0036 0.0094 0.0118
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0096
Leishmania major lysyl-tRNA synthetase, putative 0.005 0.0243 0.395
Trypanosoma brucei cdc2-related kinase 3 0.0048 0.022 0.351
Leishmania major glucose transporter, lmgt3 0.0069 0.0453 0.8107
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.018 0.1664 1
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0078 0.055 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0048 0.022 0.351
Schistosoma mansoni glutamate receptor NMDA 0.007 0.0467 0.0993
Plasmodium vivax calcium-dependent protein kinase, putative 0.0069 0.0449 0.0409

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.57 uM Inhibition of PTP1B ChEMBL. 16806920
Ki (binding) = 0.57 uM Inhibition of PTP1B ChEMBL. 16806920

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

1 literature reference was collected for this gene.

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