Detailed information for compound 1564275

Basic information

Technical information
  • TDR Targets ID: 1564275
  • Name: (E)-1-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(p henylmethoxy)phenyl]prop-2-en-1-one
  • MW: 404.455 | Formula: C25H24O5
  • H donors: 0 H acceptors: 1 LogP: 5.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)c2ccc(cc2OC)OC)ccc1OCc1ccccc1
  • InChi: 1S/C25H24O5/c1-27-20-11-12-21(24(16-20)28-2)22(26)13-9-18-10-14-23(25(15-18)29-3)30-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3/b13-9+
  • InChiKey: MNKMQDDRFGLUQN-UKTHLTGXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-[4-(benzyloxy)-3-methoxy-phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
  • ZINC06338317

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
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
Schistosoma mansoni nephrin 0.0035 0.0031 0.0031
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0213 0.2138 0.2118
Echinococcus granulosus mitogen activated protein kinase 11 0.0132 0.1174 0.1151
Echinococcus multilocularis Immunoglobulin 0.0058 0.0299 0.0275
Schistosoma mansoni serine/threonine protein kinase 0.0247 0.2532 0.2532
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0035 0.0031 0.0005
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0035 0.0025 0.0025
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.052 0.577 0.5759
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0312 0.3311 0.3294
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0213 0.2138 0.2118
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0279 0.0254
Echinococcus granulosus twitchin 0.0081 0.0571 0.0547
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0132 0.1174 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.08 0.19
Echinococcus granulosus mitogen activated protein kinase 14 0.0132 0.1174 0.1151
Echinococcus multilocularis neuroglian 0.0076 0.051 0.0486
Schistosoma mansoni tyrosine kinase 0.022 0.2222 0.2222
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0052 0.0231 0.0206
Schistosoma mansoni tyrosine kinase 0.0052 0.0231 0.0231
Loa Loa (eye worm) TK/EGFR protein kinase 0.0878 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0299 0.0275
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0312 0.3311 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0035 0.0025 0.0025
Loa Loa (eye worm) SRC-1 0.0052 0.0231 0.0206
Echinococcus granulosus tyrosine protein kinase Srms 0.0041 0.0099 0.0074
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0279 0.0373
Schistosoma mansoni tyrosine kinase 0.0052 0.0231 0.0231
Onchocerca volvulus 0.0312 0.3311 0.8711
Echinococcus granulosus c-Jun N-terminal kinases 0.0237 0.2422 0.2403
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Echinococcus multilocularis mitogen activated protein kinase 11 0.0132 0.1174 0.1151
Schistosoma mansoni atypical protein kinase C 0.0041 0.0101 0.0101
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0279 0.0254
Brugia malayi Protein kinase domain containing protein 0.0041 0.0099 0.0074
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0058 0.0299 0.0275
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0279 0.0157
Echinococcus multilocularis mitogen activated protein kinase 14 0.0132 0.1174 0.1151
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0035 0.0031 0.0005
Echinococcus granulosus fibroblast growth factor receptor 4 0.022 0.2222 0.2202
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0041 0.0099 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0344 0.0368
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0039 0.0079 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Loa Loa (eye worm) hypothetical protein 0.0089 0.0673 0.0649
Trichomonas vaginalis STE family protein kinase 0.008 0.0557 0.1059
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0244 0.0044
Echinococcus multilocularis raf serine:threonine protein kinase 0.0247 0.2532 0.2513
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Schistosoma mansoni nephrin 0.0079 0.0553 0.0553
Loa Loa (eye worm) TK/ABL protein kinase 0.0041 0.0099 0.0074
Brugia malayi Protein kinase domain containing protein 0.0517 0.5727 0.5716
Schistosoma mansoni tyrosine kinase 0.0236 0.2403 0.2403
Echinococcus multilocularis fibroblast growth factor receptor 4 0.022 0.2222 0.2202
Leishmania major protein kinase, putative 0.0062 0.0344 0.1074
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0052 0.0231 0.0206
Echinococcus multilocularis insulin receptor 0.0517 0.5727 0.5716
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.08 0.2181
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.08 0.5979
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0279 0.0254
Schistosoma mansoni tyrosine kinase 0.0517 0.5727 0.5727
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0279 0.0279
Loa Loa (eye worm) AUR protein kinase 0.0062 0.0344 0.0319
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0099 0.0074
Loa Loa (eye worm) hypothetical protein 0.0062 0.0342 0.0318
Echinococcus granulosus tyrosine protein kinase ABL1 0.0041 0.0099 0.0074
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0132 0.1174 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0279 0.0373
Loa Loa (eye worm) TK/ROR protein kinase 0.0039 0.0079 0.0054
Schistosoma mansoni tyrosine kinase 0.0534 0.5935 0.5935
Echinococcus multilocularis roundabout 2 0.0035 0.0031 0.0005
Schistosoma mansoni tyrosine kinase 0.0878 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0237 0.2422 0.2422
Brugia malayi serine/threonine protein kinase 6 0.0062 0.0344 0.0319
Echinococcus granulosus defective proboscis extension response 0.0058 0.0299 0.0275
Schistosoma mansoni hypothetical protein 0.0205 0.2035 0.2035
Schistosoma mansoni tyrosine kinase 0.0052 0.0231 0.0231
Schistosoma mansoni hypothetical protein 0.0205 0.2035 0.2035
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0041 0.0099 0.0074
Brugia malayi intracellular kinase 0.0053 0.0244 0.0219
Giardia lamblia Kinase, STE STE20 0.008 0.0557 0.1019
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0312 0.3311 1
Schistosoma mansoni tyrosine kinase 0.0513 0.5681 0.5681
Giardia lamblia Kinase, PLK 0.01 0.08 0.1812
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0031 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0344 0.0344
Echinococcus granulosus c src tyrosine kinase 0.0084 0.0609 0.0585
Entamoeba histolytica protein kinase, putative 0.0062 0.0344 0.0762
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0039 0.0079 0.0054
Trypanosoma brucei aurora B kinase 0.0062 0.0344 0.1074
Schistosoma mansoni hypothetical protein 0.0041 0.0101 0.0101
Echinococcus granulosus tyrosine kinase 0.0041 0.0099 0.0074
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0244 0.0219
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0279 0.0373
Echinococcus multilocularis 0.0264 0.2742 0.2723
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0144 0.1322 0.13
Trypanosoma cruzi aurora B kinase, putative 0.0062 0.0344 0.1074
Brugia malayi P38 map kinase family protein 2 0.0132 0.1174 0.1151
Toxoplasma gondii aurora kinase 0.0062 0.0344 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0299 0.0275
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0135 0.1207 0.1185
Echinococcus granulosus insulin receptor 0.0517 0.5727 0.5716
Echinococcus granulosus epidermal growth factor receptor 0.0534 0.5935 0.5925
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0132 0.1174 1
Onchocerca volvulus 0.0073 0.0477 0.1026
Echinococcus multilocularis mitogen activated protein kinase 11 0.0132 0.1174 0.1151
Brugia malayi protein-tyrosine kinase 0.0041 0.0099 0.0074
Echinococcus multilocularis tyrosine protein kinase csk 0.0053 0.0247 0.0222
Schistosoma mansoni cell adhesion molecule 0.0035 0.0031 0.0031
Echinococcus multilocularis protein kinase shaggy 0.0053 0.0244 0.0219
Brugia malayi MAP kinase sur-1 0.0056 0.0279 0.0254
Echinococcus granulosus tyrosine protein kinase Lyn 0.0057 0.0292 0.0267
Echinococcus multilocularis tyrosine protein kinase csk 0.0053 0.0247 0.0222
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0062 0.0344 0.0319
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0213 0.2131 0.2111
Schistosoma mansoni tyrosine kinase 0.0513 0.5681 0.5681
Entamoeba histolytica protein kinase , putative 0.0062 0.0344 0.0762
Loa Loa (eye worm) hypothetical protein 0.0208 0.2077 0.2057
Schistosoma mansoni tyrosine kinase 0.0255 0.2634 0.2634
Loa Loa (eye worm) TTK protein kinase 0.0078 0.0532 0.0507
Echinococcus multilocularis geminin 0.0205 0.2035 0.2015
Entamoeba histolytica protein kinase domain containing protein 0.0053 0.0244 0.0451
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0062 0.0344 1
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.08 0.0776
Echinococcus granulosus protein kinase shaggy 0.0053 0.0244 0.0219
Echinococcus granulosus tyrosine protein kinase csk 0.0053 0.0247 0.0222
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0344 0.0368
Loa Loa (eye worm) AUR protein kinase 0.0062 0.0344 0.0319
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0041 0.0099 0.0074
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.008 0.0557 0.3362
Echinococcus multilocularis tyrosine kinase 0.0041 0.0099 0.0074
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0312 0.3311 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0132 0.1174 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0031 0.0005
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0279 0.0113
Echinococcus multilocularis epidermal growth factor receptor 0.0534 0.5935 0.5925
Echinococcus granulosus tyrosine protein kinase shark 0.0255 0.2634 0.2615
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0052 0.0231 0.0231
Echinococcus multilocularis tyrosine protein kinase Abl 0.0052 0.0231 0.0206
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0053 0.0244 0.0219
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0062 0.0344 0.0762
Brugia malayi Tyrosine-protein kinase abl-1 0.0052 0.0231 0.0206
Brugia malayi Protein kinase domain containing protein 0.0041 0.0099 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0062 0.0344 0.0762
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.008 0.0557 0.3362
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0279 0.0254
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0031 0.0005
Loa Loa (eye worm) TK/CSK protein kinase 0.0053 0.0247 0.0222
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0279 0.0157
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.008 0.0557 0.3362
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0078 0.0532 0.1173
Onchocerca volvulus 0.0053 0.0244 0.0393
Brugia malayi Protein kinase domain containing protein 0.0041 0.0099 0.0074
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0058 0.0299 0.0299
Echinococcus granulosus tyrosine protein kinase csk 0.0053 0.0247 0.0222
Trypanosoma brucei polo-like protein kinase 0.01 0.08 0.5979
Echinococcus granulosus tyrosine protein kinase Src64B 0.0052 0.0231 0.0206
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.008 0.0557 0.0532
Onchocerca volvulus Tyrosine kinase homolog 0.0353 0.3786 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Loa Loa (eye worm) TK protein kinase 0.0238 0.2433 0.2413
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0279 0.0254
Echinococcus granulosus epidermal growth factor receptor 0.0878 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0279 0.0373
Brugia malayi hypothetical protein 0.0062 0.0342 0.0318
Brugia malayi Immunoglobulin I-set domain containing protein 0.0238 0.2433 0.2413
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.008 0.0557 0.0532
Schistosoma mansoni tyrosine kinase 0.0084 0.0609 0.0609
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0062 0.0344 0.0762
Echinococcus multilocularis aurora kinase A 0.0062 0.0344 0.0319
Loa Loa (eye worm) hypothetical protein 0.0155 0.1448 0.1426
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0344 0.0368
Brugia malayi serine/threonine kinase 12 0.0062 0.0344 0.0319
Loa Loa (eye worm) hypothetical protein 0.0072 0.0462 0.0438
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0099 0.0074
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0312 0.3311 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0326 0.0302
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0132 0.1174 0.1151
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0068 0.0418 0.1876
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0031 0.0005
Echinococcus multilocularis dual specificity mitogen activated protein 0.008 0.0557 0.0532
Loa Loa (eye worm) raf kinase 0.0225 0.2278 0.2259
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0078 0.0532 0.0507
Schistosoma mansoni protein kinase 0.0213 0.2138 0.2138
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.08 0.0776
Brugia malayi Immunoglobulin I-set domain containing protein 0.0062 0.0342 0.0318
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0099 0.0074
Loa Loa (eye worm) TK/INSR protein kinase 0.0517 0.5727 0.5716
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Giardia lamblia Kinase, TTK 0.0078 0.0532 0.0938
Echinococcus granulosus Immunoglobulin 0.0058 0.0299 0.0275
Echinococcus multilocularis neuroglian 0.0035 0.0031 0.0005
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0053 0.0244 0.0219
Entamoeba histolytica protein kinase, putative 0.0062 0.0344 0.0762
Loa Loa (eye worm) AUR protein kinase 0.0062 0.0344 0.0319
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0035 0.0031 0.0031
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0052 0.0231 0.0206
Echinococcus granulosus roundabout 2 0.0093 0.0716 0.0692
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0579 0.6459 0.645
Onchocerca volvulus 0.0139 0.1262 0.3154
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0031 0.0005
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0312 0.3311 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0062 0.0344 1
Schistosoma mansoni protein kinase 0.0062 0.0344 0.0344
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0279 0.3471
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0062 0.0344 0.0319
Echinococcus granulosus tyrosine protein kinase csk 0.0053 0.0247 0.0222
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0052 0.0231 0.0206
Loa Loa (eye worm) hypothetical protein 0.0062 0.0342 0.0318
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0326 0.0302
Schistosoma mansoni vav2 0.0036 0.0045 0.0045
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.08 0.0776
Loa Loa (eye worm) hypothetical protein 0.0062 0.0342 0.0318
Loa Loa (eye worm) hypothetical protein 0.0139 0.1262 0.124
Echinococcus granulosus roundabout 2 0.0035 0.0031 0.0005
Echinococcus multilocularis tyrosine protein kinase csk 0.0053 0.0247 0.0222
Brugia malayi Protein kinase domain containing protein 0.0041 0.0099 0.0074
Trichomonas vaginalis STE family protein kinase 0.008 0.0557 0.1059
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Schistosoma mansoni serine/threonine protein kinase 0.01 0.08 0.08
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0279 0.0373
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0053 0.0244 0.0219
Echinococcus granulosus tyrosine kinase 0.0041 0.0099 0.0074
Entamoeba histolytica protein kinase domain containing protein 0.0062 0.0344 0.0762
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Loa Loa (eye worm) hypothetical protein 0.0063 0.0357 0.0332
Echinococcus granulosus aurora kinase A 0.0062 0.0344 0.0319
Brugia malayi serine/threonine-protein kinase 6 0.0062 0.0344 0.0319
Echinococcus granulosus neuroglian 0.0076 0.051 0.0486
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0135 0.1207 0.1185
Schistosoma mansoni tyrosine kinase 0.0053 0.0242 0.0242
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0237 0.2422 0.2403
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0101 0.0076
Entamoeba histolytica protein kinase domain containing protein 0.0053 0.0244 0.0451
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.004 0.0092 0.0067
Echinococcus multilocularis roundabout 2 0.0093 0.0716 0.0692
Loa Loa (eye worm) hypothetical protein 0.0041 0.0099 0.0074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0326 0.0302
Loa Loa (eye worm) hypothetical protein 0.0089 0.0673 0.0649
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0099 0.0074
Entamoeba histolytica protein kinase, putative 0.0053 0.0244 0.0451
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0099 0.0074
Echinococcus multilocularis tyrosine protein kinase shark 0.0255 0.2634 0.2615
Loa Loa (eye worm) hypothetical protein 0.0139 0.1262 0.124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0135 0.1207 0.1185
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Brugia malayi Immunoglobulin I-set domain containing protein 0.0407 0.4424 0.4409
Echinococcus granulosus dual specificity mitogen activated protein 0.008 0.0557 0.0532
Loa Loa (eye worm) hypothetical protein 0.0139 0.1262 0.124
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0279 0.0157
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.08 0.5979
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Schistosoma mansoni tyrosine kinase 0.0202 0.1999 0.1999
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0312 0.3311 0.5
Brugia malayi Protein kinase domain containing protein 0.0166 0.1573 0.1551
Loa Loa (eye worm) hypothetical protein 0.0155 0.1442 0.1421
Loa Loa (eye worm) hypothetical protein 0.0035 0.0031 0.0005
Echinococcus multilocularis c src tyrosine kinase 0.0084 0.0609 0.0585
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0312 0.3311 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.052 0.577 0.5759
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0237 0.2422 0.2403
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.0031 0.0005
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0052 0.0231 0.0206
Echinococcus multilocularis mitogen activated protein kinase 14 0.0132 0.1174 0.1151
Brugia malayi Protein kinase domain containing protein 0.0078 0.0532 0.0507
Giardia lamblia Aurora kinase 0.0062 0.0344 0.0325
Echinococcus multilocularis Immunoglobulin 0.0058 0.0299 0.0275
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0052 0.0231 0.0206
Schistosoma mansoni neuroglian 0.0035 0.0031 0.0031
Schistosoma mansoni protein kinase 0.0213 0.2138 0.2138
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0279 0.0373
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0326 0.0302
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0078 0.0532 0.0532
Trypanosoma brucei protein kinase, putative 0.0056 0.0279 0.0373
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0052 0.0231 0.0206
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0312 0.3311 1
Trichomonas vaginalis CAMK family protein kinase 0.0078 0.0532 0.0978
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0052 0.0231 0.0206
Echinococcus granulosus raf serine:threonine protein kinase 0.0247 0.2532 0.2513
Brugia malayi Raf kinase 0.0231 0.2352 0.2333
Brugia malayi Stress-activated protein kinase jnk-1 0.0237 0.2422 0.2403
Brugia malayi SRC-1 0.0052 0.0231 0.0206
Brugia malayi SH2 domain containing protein 0.0073 0.0477 0.0453
Brugia malayi Neuronal symmetry protein 1 0.0213 0.2138 0.2118
Trichomonas vaginalis CAMK family protein kinase 0.0078 0.0532 0.0978
Schistosoma mansoni cell adhesion molecule 0.0075 0.0505 0.0505
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0312 0.3311 1
Schistosoma mansoni kinase 0.0053 0.0245 0.0245
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0231 0.0206
Echinococcus granulosus geminin 0.0205 0.2035 0.2015
Loa Loa (eye worm) SH2 domain-containing protein 0.0051 0.0223 0.0198
Brugia malayi Protein kinase domain containing protein 0.0041 0.0099 0.0074
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0312 0.3311 1
Echinococcus multilocularis tyrosine protein kinase csk 0.0053 0.0247 0.0222
Loa Loa (eye worm) hypothetical protein 0.0058 0.0299 0.0275
Schistosoma mansoni tyrosine kinase 0.0517 0.5727 0.5727
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0068 0.0418 0.0394
Loa Loa (eye worm) hypothetical protein 0.0144 0.1319 0.1297
Brugia malayi SH2 domain containing protein 0.0041 0.0099 0.0074
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0312 0.3311 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0035 0.0031 0.0005
Loa Loa (eye worm) hypothetical protein 0.0041 0.0101 0.0076
Echinococcus granulosus neuroglian 0.0035 0.0031 0.0005
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0244 0.0044
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0344 0.0368
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0068 0.0418 0.1876
Brugia malayi hypothetical protein 0.0041 0.0099 0.0074
Echinococcus granulosus roundabout 2 0.0035 0.0031 0.0005
Schistosoma mansoni vesicular amine transporter 0.0058 0.0299 0.0299
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.08 0.0776
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0407 0.4424 0.4409
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0213 0.2131 0.2111
Onchocerca volvulus 0.0313 0.3322 0.874
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0078 0.0532 0.0507
Brugia malayi Fibronectin type III domain containing protein 0.0062 0.0342 0.0318
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0058 0.0299 0.0299
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.022 0.2222 0.2202
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0053 0.0244 0.0244
Trichomonas vaginalis CAMK family protein kinase 0.01 0.08 0.1849
Loa Loa (eye worm) TK protein kinase 0.0041 0.0099 0.0074
Schistosoma mansoni tyrosine kinase 0.0513 0.5681 0.5681
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.08 0.5979
Echinococcus granulosus contactin 0.0035 0.0031 0.0005
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.022 0.2222 0.2202
Echinococcus granulosus tyrosine protein kinase Src42A 0.0052 0.0231 0.0206
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0072 0.0462 0.0438
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0312 0.3311 0.3294
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0099 0.0074
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0279 0.0157
Schistosoma mansoni tyrosine kinase 0.0534 0.5935 0.5935
Echinococcus multilocularis epidermal growth factor receptor 0.0878 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0279 0.0373
Echinococcus multilocularis roundabout 2 0.0035 0.0031 0.0005
Schistosoma mansoni cell adhesion molecule 0.0035 0.0031 0.0031
Schistosoma mansoni protein kinase 0.008 0.0557 0.0557
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0534 0.5935 0.5925
Trichomonas vaginalis STE family protein kinase 0.008 0.0557 0.1059

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry ChEMBL. 22136336
IC50 (binding) > 100 uM Inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry ChEMBL. 22136336
IC50 (binding) = 263 uM Inhibition of human PTP1B expressed in Escherichia coli BL21 DE3 using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry ChEMBL. 22136336
Inhibition (binding) = 0 % Inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate at 25 uM measured for 10 mins by spectrofluorimetry ChEMBL. 22136336
Inhibition (binding) = 40 % Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate at 25 uM measured for 10 mins by spectrofluorimetry ChEMBL. 22136336
Ki (binding) = 12 uM Competitive inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot analysis ChEMBL. 22136336
Ratio (binding) = 1.3 Ratio of IC50 to Ki for Mycobacterium tuberculosis protein tyrosine phosphatase-A ChEMBL. 22136336

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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