Detailed information for compound 210273

Basic information

Technical information
  • TDR Targets ID: 210273
  • Name: 5-[(E)-(2-imidazol-1-yl-1,3-diphenylpropylide ne)amino]oxy-2,2-dimethylpentanoic acid
  • MW: 419.516 | Formula: C25H29N3O3
  • H donors: 1 H acceptors: 3 LogP: 5.24 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CCCO/N=C(/C(n1cncc1)Cc1ccccc1)\c1ccccc1)(C)C
  • InChi: 1S/C25H29N3O3/c1-25(2,24(29)30)14-9-17-31-27-23(21-12-7-4-8-13-21)22(28-16-15-26-19-28)18-20-10-5-3-6-11-20/h3-8,10-13,15-16,19,22H,9,14,17-18H2,1-2H3,(H,29,30)/b27-23+
  • InChiKey: LOHLXZSGVCJFIH-SLEBQGDGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-2,2-dimethyl-pentanoic acid
  • 5-[(E)-[2-(1-imidazolyl)-1,3-diphenylpropylidene]amino]oxy-2,2-dimethylpentanoic acid
  • 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-2,2-dimethyl-valeric acid
  • 5-[[2-imidazol-1-yl-1,3-di(phenyl)propylidene]amino]oxy-2,2-dimethylpentanoic acid
  • 5-[[2-imidazol-1-yl-1,3-di(phenyl)propylidene]amino]oxy-2,2-dimethyl-pentanoic acid
  • 5-[[2-(1-imidazolyl)-1,3-di(phenyl)propylidene]amino]oxy-2,2-dimethylpentanoic acid
  • 5-[[2-imidazol-1-yl-1,3-di(phenyl)propylidene]amino]oxy-2,2-dimethyl-valeric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A2 receptor Starlite/ChEMBL References
Rattus norvegicus Thromboxane-A synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Thromboxane-A synthase   533 aa 507 aa 21.7 %
Leishmania major cytochrome p450-like protein Thromboxane-A synthase   533 aa 468 aa 22.0 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 456 aa 22.4 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 448 aa 20.5 %
Leishmania mexicana cytochrome p450-like protein Thromboxane-A synthase   533 aa 469 aa 22.0 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 530 aa 22.6 %
Leishmania infantum cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Loa Loa (eye worm) cytochrome P450 family protein Thromboxane-A synthase   533 aa 480 aa 20.8 %
Leishmania donovani cytochrome p450-like protein Thromboxane-A synthase   533 aa 473 aa 22.2 %
Leishmania braziliensis cytochrome p450-like protein Thromboxane-A synthase   533 aa 477 aa 20.3 %
Candida albicans cytochrome P450 56 Thromboxane-A synthase   533 aa 507 aa 22.9 %
Trypanosoma brucei gambiense cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Trypanosoma cruzi cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.7 %
Trypanosoma congolense cytochrome P450, putative Thromboxane-A synthase   533 aa 453 aa 20.3 %
Dictyostelium discoideum cytochrome P450 family protein Thromboxane-A synthase   533 aa 544 aa 19.9 %
Trypanosoma brucei cytochrome P450, putative Thromboxane-A synthase   533 aa 450 aa 20.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0364 0.2081 0.8358
Onchocerca volvulus Huntingtin homolog 0.0117 0.0568 0.3891
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Schistosoma mansoni chromobox protein 0.0076 0.0313 0.0875
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0063 0.0237 0.0229
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0129 0.0842
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0405 0.2336 0.939
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0008 0.0009
Brugia malayi Cytochrome P450 family protein 0.0056 0.0191 0.0635
Trypanosoma cruzi heat shock protein 90, putative 0.0028 0.0019 0.0015
Leishmania major DNA topoisomerase ii 0.0028 0.0019 0.0015
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0063 0.0237 0.0732
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.043 0.2486 1
Trypanosoma brucei heat shock protein 90, putative 0.0028 0.0019 0.0015
Brugia malayi hypothetical protein 0.0117 0.0568 0.1943
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0028 0.0019 0.0151
Brugia malayi Endoplasmin precursor 0.0028 0.0019 0.0038
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0063 0.0237 0.0794
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0077 0.0324 0.1239
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0143 0.0729 0.288
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0173 0.0913 0.8433
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0028 0.0019 0.5
Schistosoma mansoni lamin 0.0026 0.0008 0.0022
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0028 0.0019 0.0178
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0154 0.0409
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0245 0.1351 0.4655
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0263 1
Onchocerca volvulus Huntingtin homolog 0.0117 0.0568 0.3891
Schistosoma mansoni heat shock protein 0.0028 0.0019 0.0053
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0143 0.0729 0.288
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0077 0.0324 0.0317
Toxoplasma gondii DNA topoisomerase 2, putative 0.0028 0.0019 0.0151
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0077 0.0324 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0028 0.0019 0.0015
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0061 0.0184
Echinococcus multilocularis chromobox protein 1 0.0076 0.0313 0.0305
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0154 0.043
Echinococcus granulosus geminin 0.0184 0.0977 0.2714
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0051 0.0043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0518 0.1767
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.0263 0.0863
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0263 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0077 0.0324 0.0907
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0313 0.0973
Schistosoma mansoni lipoxygenase 0.013 0.0645 0.1804
Echinococcus granulosus ubiquitin specific protease 41 0.0041 0.0099 0.0256
Schistosoma mansoni hypothetical protein 0.0034 0.0061 0.017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0154 0.047
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0028 0.0019 0.5
Onchocerca volvulus 0.0261 0.1448 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0063 0.0237 0.0642
Echinococcus granulosus chromobox protein 1 0.0076 0.0313 0.0855
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Echinococcus multilocularis Zinc finger, PHD finger 0.0077 0.0324 0.0317
Mycobacterium leprae Probable two-component sensor kinase 0.0028 0.0019 0.5
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0077 0.0324 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0049 0.0153 0.0482
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0014 0.003
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0028 0.0019 0.0077
Schistosoma mansoni DNA topoisomerase II 0.0028 0.0019 0.0053
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0091 0.0405 0.268
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0129 0.0447
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0496 0.2893 0.2887
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0518 0.1618
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0143 0.0729 0.2485
Trypanosoma brucei heat shock protein 90, putative 0.0028 0.0019 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0154 0.043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0154 0.043
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0496 0.2893 0.808
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0028 0.0019 0.0015
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0028 0.0019 0.0031
Plasmodium vivax SET domain protein, putative 0.0033 0.0051 0.1053
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0154 0.0506
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Echinococcus multilocularis heat shock protein 90 0.0028 0.0019 0.0011
Onchocerca volvulus 0.0045 0.0127 0.0827
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0019 0.0015
Brugia malayi heat shock protein 90 0.0028 0.0019 0.0038
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0496 0.2893 0.2887
Onchocerca volvulus 0.0033 0.0053 0.0316
Loa Loa (eye worm) hypothetical protein 0.0033 0.0053 0.0153
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0028 0.0019 0.0178
Schistosoma mansoni chromobox protein 0.0076 0.0313 0.0875
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0099 0.0325
Leishmania major phosphatidylinositol 3-kinase, putative 0.0077 0.0324 0.1077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0051 0.0143
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0077 0.0324 0.1239
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0077 0.0324 0.298
Trypanosoma cruzi DNA topoisomerase II, putative 0.0028 0.0019 0.0015
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0191 0.0587
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.043 0.2486 0.8591
Giardia lamblia Phosphatidylinositol 4-kinase 0.0049 0.0153 0.0931
Echinococcus granulosus heat shock protein 0.0028 0.0019 0.0031
Trypanosoma cruzi DNA topoisomerase II, putative 0.0028 0.0019 0.0015
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0061 0.0184
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0153 0.0468
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0028 0.0019 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0263 0.0714
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0245 0.1351 0.3761
Brugia malayi Pre-SET motif family protein 0.0033 0.0051 0.015
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0028 0.0019 0.5
Toxoplasma gondii heat shock protein HSP90 0.0028 0.0019 0.0151
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0049 0.0153 0.0482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0154 0.0146
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0049 0.0153 0.0482
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0041 0.0099 0.0294
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Loa Loa (eye worm) hypothetical protein 0.0033 0.0051 0.0146
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0077 0.0324 0.0907
Loa Loa (eye worm) hypothetical protein 0.0117 0.0568 0.1778
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0074 0.0066
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Loa Loa (eye worm) heat shock protein 90 0.0028 0.0019 0.0044
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.1254 0.3943
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0077 0.0324 0.1239
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0028 0.0019 0.0077
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0262 0.146 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0051 0.0449
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0077 0.0324 0.1077
Mycobacterium ulcerans putative regultory protein 0.0028 0.0019 0.0178
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0028 0.0019 0.0077
Brugia malayi MH2 domain containing protein 0.0131 0.0655 0.2244
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0143 0.0729 0.288
Loa Loa (eye worm) TOPoisomerase family member 0.0028 0.0019 0.0044
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0028 0.0019 0.0015
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0099 0.0294
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0328 0.1865 0.7483
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0655 0.2053
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0077 0.0324 0.1098
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.043 0.2486 0.8588
Leishmania major developmentally regulated phosphoprotein-like protein 0.0496 0.2893 1
Brugia malayi Probable DNA topoisomerase II 0.0028 0.0019 0.0038
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0028 0.0019 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0119 0.0579 0.1962
Schistosoma mansoni hypothetical protein 0.0034 0.0061 0.017
Loa Loa (eye worm) hypothetical protein 0.0074 0.0306 0.0951
Trichomonas vaginalis set domain proteins, putative 0.0261 0.1448 0.5793
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0028 0.0019 0.0015
Schistosoma mansoni lamin 0.0026 0.0008 0.0022
Loa Loa (eye worm) endoplasmin 0.0028 0.0019 0.0044
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0028 0.0019 0.0151
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0063 0.0237 0.0773
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0154 0.0146
Echinococcus multilocularis heat shock protein 0.0028 0.0019 0.0011
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0044 0.01
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0655 0.2053
Brugia malayi Cytochrome P450 family protein 0.0027 0.0014 0.0023
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Mycobacterium ulcerans DNA gyrase subunit B 0.0028 0.0019 0.0178
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0173 0.0913 0.3123
Loa Loa (eye worm) hypothetical protein 0.0117 0.0568 0.1778
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0143 0.0729 0.2502
Loa Loa (eye worm) phosphatidylinositol 3 0.0542 0.3173 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.043 0.2486 1
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Echinococcus multilocularis ubiquitin specific protease 41 0.0041 0.0099 0.0091
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Trypanosoma brucei Heat shock protein 83, putative 0.0028 0.0019 0.0015
Leishmania major phosphatidylinositol 4-kinase, putative 0.0049 0.0153 0.0482
Schistosoma mansoni pyruvate dehydrogenase 0.0468 0.2723 0.7611
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0041 0.0099 0.0557
Schistosoma mansoni hypothetical protein 0.0184 0.0977 0.273
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0041 0.0099 0.0277
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0143 0.0729 0.2485
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0041 0.0099 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0033 0.0059
Trypanosoma brucei DNA topoisomerase ii 0.0028 0.0019 0.0015
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0306 0.1035
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0077 0.0324 0.1077
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.013 0.0645 0.0638
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0077 0.0324 0.0887
Echinococcus multilocularis geminin 0.0184 0.0977 0.097
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0173 0.0913 0.3123
Mycobacterium ulcerans two component regulator - sensor kinase 0.0028 0.0019 0.0178
Schistosoma mansoni endoplasmin 0.0028 0.0019 0.0053
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0028 0.0019 0.0015
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0049 0.0153 0.0407
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0099 0.0256
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0063 0.0237 0.0773
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0245 0.1351 0.1344
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0099 0.0091
Brugia malayi Pre-SET motif family protein 0.0229 0.1254 0.432
Echinococcus granulosus GPCR family 2 0.0034 0.0061 0.0149
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0019 0.0015
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0044
Loa Loa (eye worm) hypothetical protein 0.0034 0.0061 0.0177
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0313 0.1192
Echinococcus granulosus chromobox protein 1 0.0076 0.0313 0.0855
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0051 0.0043
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0028 0.0019 0.0178
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0109 0.0705
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0074 0.0185
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0077 0.0324 0.1077
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0143 0.0729 0.288
Chlamydia trachomatis DNA gyrase subunit B 0.0028 0.0019 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0608 0.3578 1
Schistosoma mansoni hypothetical protein 0.0034 0.0061 0.017
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0061 0.0149
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0099 0.0325
Loa Loa (eye worm) hypothetical protein 0.0026 0.0008 0.0009
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0077 0.0324 0.1239
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0496 0.2893 1
Echinococcus granulosus heat shock protein 90 0.0028 0.0019 0.0031
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0099 0.0091
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0099 0.0294
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.043 0.2486 0.8588
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.043 0.2486 1
Schistosoma mansoni hypothetical protein 0.0034 0.0061 0.017
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0014 0.003
Loa Loa (eye worm) hypothetical protein 0.0496 0.2893 0.9115
Entamoeba histolytica hypothetical protein 0.0364 0.2081 0.8358
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0077 0.0324 0.1077
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.0946 0.3756
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0129 0.0447
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.0263 0.0734
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.0127 0.0354
Echinococcus multilocularis 0.0049 0.0153 0.0145
Schistosoma mansoni endoplasmin 0.0028 0.0019 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0154 0.0409
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0028 0.0019 0.0011
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0061 0.0053
Brugia malayi kinase, mitochondrial precursor 0.0496 0.2893 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0041 0.0099 0.0325
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0049 0.0153 0.4391
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0077 0.0324 0.1239
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0028 0.0019 0.5
Brugia malayi chromobox protein homolog 3 0.0042 0.0109 0.0352
Leishmania major hypothetical protein, conserved 0.0028 0.0019 0.0015
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0028 0.0019 0.0178
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0061 0.0149
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0061 0.0177
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0313 0.1192
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0173 0.0913 0.3123
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0099 0.0256
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0008 0.0009
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0063 0.0237 0.0883
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.043 0.2486 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0028 0.0019 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0077 0.0324 0.1009
Brugia malayi Heterochromatin protein 1 0.0076 0.0313 0.1058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0051 0.0143
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0608 0.3578 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0263 0.0255
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0028 0.0019 0.0178
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0063 0.0237 0.0773
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0028 0.0019 0.0178
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0063 0.0237 0.0773
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0049 0.0153 0.4391
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0049 0.0153 0.0428
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0028 0.0019 0.0038
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0263 0.0884
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0061 0.0053
Schistosoma mansoni lipoxygenase 0.0091 0.0406 0.1135
Toxoplasma gondii heat shock protein 90, putative 0.0028 0.0019 0.0151
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102 0.0477 0.4397
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0028 0.0019 0.0178
Loa Loa (eye worm) hypothetical protein 0.0042 0.0109 0.033
Loa Loa (eye worm) hypothetical protein 0.0185 0.0985 0.3094
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0028 0.0019 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0153 0.0504
Schistosoma mansoni hypothetical protein 0.0074 0.0306 0.0856
Loa Loa (eye worm) hypothetical protein 0.0245 0.1351 0.4248
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0178 0.0941 0.3236
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0109 0.0367
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0518 0.1767
Brugia malayi Cytochrome P450 family protein 0.0027 0.0014 0.0023
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Schistosoma mansoni pyruvate dehydrogenase 0.0468 0.2723 0.7611
Mycobacterium ulcerans two component sensor kinase MprB 0.0028 0.0019 0.0178
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0099 0.0294
Schistosoma mansoni pyruvate dehydrogenase 0.0496 0.2893 0.8084
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Leishmania major heat shock protein 83-1 0.0028 0.0019 0.0015
Loa Loa (eye worm) hypothetical protein 0.0041 0.0099 0.0298
Schistosoma mansoni hypothetical protein 0.0184 0.0977 0.273
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0099 0.0325
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0077 0.0324 0.0887
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0201 0.1083 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0028 0.0019 0.0178
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0041 0.0099 0.0277
Schistosoma mansoni intermediate filament proteins 0.0026 0.0008 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0051 0.0143
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0143 0.0729 0.288
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0579 0.1813
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0028 0.0019 0.0038
Leishmania major mitochondrial DNA topoisomerase II 0.0028 0.0019 0.0015
Echinococcus granulosus arachidonate 5 lipoxygenase 0.013 0.0645 0.1786
Trypanosoma cruzi heat shock protein 90, putative 0.0028 0.0019 0.0015
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0051 0.0121
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0608 0.3578 0.3573
Trypanosoma brucei developmentally regulated phosphoprotein 0.0496 0.2893 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0211 0.065
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0063 0.0237 0.0662
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Chlamydia trachomatis DNA gyrase subunit B 0.0028 0.0019 0.5
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0033 0.0059
Trypanosoma brucei heat shock protein, putative 0.0028 0.0019 0.0015
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0328 0.1865 0.7483
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0019 0.0015
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0143 0.0729 0.2039
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0263 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0044
Echinococcus multilocularis GPCR, family 2 0.0034 0.0061 0.0053
Mycobacterium leprae Probable two component sensor kinase MprB 0.0028 0.0019 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0109 0.0367
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0014 0.003
Echinococcus multilocularis chromobox protein 1 0.0076 0.0313 0.0305
Loa Loa (eye worm) hypothetical protein 0.0109 0.0518 0.1618
Schistosoma mansoni heat shock protein 0.0028 0.0019 0.0053
Trypanosoma cruzi Heat shock protein 83, putative 0.0028 0.0019 0.0015
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0028 0.0019 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.76 uM In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade ChEMBL. 7932586
IC50 (binding) = 0.76 uM In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees centigrade ChEMBL. 7932586
IC50 (binding) = 4.16 uM In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets ChEMBL. 7932586
IC50 (binding) = 4.16 uM In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets ChEMBL. 7932586

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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