Detailed information for compound 219783

Basic information

Technical information
  • TDR Targets ID: 219783
  • Name: (Z)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]et hyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
  • MW: 484.995 | Formula: C25H25ClN2O4S
  • H donors: 2 H acceptors: 5 LogP: 5.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC/C=C(\c1cccnc1)/c1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5-
  • InChiKey: LGHLGTHRJNIRCA-ZRJGMHBZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid
  • (Z)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridyl)-5-hexenoic acid
  • (Z)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A synthase 1 (platelet) Starlite/ChEMBL References
Homo sapiens thromboxane A2 receptor 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
Trypanosoma brucei cytochrome P450, putative thromboxane A synthase 1 (platelet) 534 aa 498 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.023 0.2648 0.3452
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1472 0.1922
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0793 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0027
Echinococcus multilocularis isocitrate dehydrogenase 0.0084 0.0742 0.0747
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0393 0.0707
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.0413 0.0539
Brugia malayi hypothetical protein 0.0237 0.2738 0.3587
Echinococcus granulosus endoplasmin 0.0051 0.0305 0.0399
Schistosoma mansoni patched 1 0.0041 0.0178 0.0233
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.0413 0.0539
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0076 0.01
Brugia malayi isocitrate dehydrogenase 0.0084 0.0742 0.0972
Brugia malayi Smad1 0.0034 0.0083 0.0109
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0083 0.0108
Brugia malayi MH1 domain containing protein 0.0034 0.0083 0.0109
Schistosoma mansoni importin beta-1 0.0057 0.0393 0.0513
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0083 0.0108
Schistosoma mansoni ran 0.0042 0.0195 0.0254
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0251 0.035
Schistosoma mansoni heat shock protein 0.0054 0.0349 0.0456
Schistosoma mansoni hypothetical protein 0.0048 0.0273 0.0357
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0178 0.0482
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Leishmania major importin beta-1 subunit, putative 0.0047 0.0251 0.035
Brugia malayi hypothetical protein 0.0119 0.1197 0.1568
Echinococcus multilocularis Smad4 0.0034 0.0083 0.0083
Mycobacterium tuberculosis Probable oxidoreductase 0.0273 0.3212 0.2998
Echinococcus granulosus X box binding protein 1 0.028 0.3298 0.4306
Echinococcus granulosus snurportin 1 0.0614 0.7658 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.1014 0.1324
Onchocerca volvulus 0.0048 0.0273 0.0332
Schistosoma mansoni ran 0.0042 0.0195 0.0254
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0083 0.0108
Leishmania major GTP-binding protein, putative 0.0042 0.0195 0.0209
Echinococcus multilocularis smad 0.0034 0.0083 0.0083
Schistosoma mansoni smad1 5 8 and 0.0034 0.0083 0.0108
Plasmodium falciparum importin beta, putative 0.0057 0.0393 0.1498
Echinococcus granulosus tar DNA binding protein 0.0209 0.2366 0.309
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0076 0.01
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0195 0.0254
Schistosoma mansoni heat shock protein 0.0054 0.0349 0.0456
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0195 0.0209
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0084 0.0742 0.0969
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.0413 0.1386
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.034 0.4089 0.534
Echinococcus granulosus smad 0.0034 0.0083 0.0108
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0245 0.2844 0.3714
Toxoplasma gondii LsmAD domain-containing protein 0.0057 0.0382 0.1571
Entamoeba histolytica hypothetical protein 0.0192 0.2147 1
Schistosoma mansoni Smad4 0.0034 0.0083 0.0108
Trypanosoma brucei heat shock protein 90, putative 0.0054 0.0349 0.0597
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0911 0.1189
Schistosoma mansoni transcription factor LCR-F1 0.0192 0.2147 0.2804
Giardia lamblia Grp94/Hsp90 0.0051 0.0305 0.7186
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1014 0.1328
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1427 0.1864
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.1472 0.1928
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0076 0.0099
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.0413 0.0415
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0742 0.0747
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.1472 0.1922
Brugia malayi Pre-SET motif family protein 0.0202 0.2283 0.2992
Brugia malayi heat shock protein 90 0.0054 0.0349 0.0457
Schistosoma mansoni hypothetical protein 0.0535 0.6625 0.8651
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.0413 0.1703
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0178 0.0179
Entamoeba histolytica heat shock protein 90, putative 0.0054 0.0349 0.1166
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0036 0.0112 0.0119
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0247 0.034
Schistosoma mansoni smad 0.0034 0.0083 0.0108
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0076 0.0099
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0382 0.1451
Loa Loa (eye worm) hypothetical protein 0.0119 0.1197 0.1562
Echinococcus granulosus GPCR family 2 0.0033 0.0076 0.0099
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Trichomonas vaginalis heat shock protein, putative 0.0054 0.0349 0.1141
Brugia malayi RNA binding protein 0.0209 0.2366 0.3101
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0076 0.0076
Schistosoma mansoni hypothetical protein 0.0614 0.7658 1
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1914 0.25
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.034 0.4089 0.5358
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Mycobacterium ulcerans short chain dehydrogenase 0.0273 0.3212 0.2998
Brugia malayi MH2 domain containing protein 0.0034 0.0083 0.0109
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1472 0.1922
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0021 0.0021
Trichomonas vaginalis ran, putative 0.0042 0.0195 0.0546
Loa Loa (eye worm) isocitrate dehydrogenase 0.0084 0.0742 0.0969
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0084 0.0742 0.1585
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2283 0.2981
Echinococcus multilocularis heat shock protein 0.0054 0.0349 0.0351
Toxoplasma gondii heat shock protein 75, putative 0.0036 0.0112 0.0395
Echinococcus granulosus heat shock protein 0.0054 0.0349 0.0456
Schistosoma mansoni endoplasmin 0.0054 0.0349 0.0456
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0155 0.0394
Brugia malayi CHE-14 protein 0.0041 0.0178 0.0233
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0083 0.0083
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0195 0.0255
Entamoeba histolytica hypothetical protein 0.0192 0.2147 1
Onchocerca volvulus Phospholipase A2 homolog 0.0188 0.2103 0.2736
Loa Loa (eye worm) hypothetical protein 0.0096 0.0891 0.1164
Trypanosoma brucei heat shock protein 90, putative 0.0054 0.0349 0.0597
Entamoeba histolytica hypothetical protein 0.0192 0.2147 1
Trypanosoma cruzi heat shock protein 85, putative 0.0054 0.0349 0.0597
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.0413 0.1703
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0233
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0083 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0209 0.2366 0.309
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0192 0.2147 0.2804
Plasmodium falciparum plasmepsin I 0.0059 0.0413 0.1586
Plasmodium vivax heat shock protein 90, putative 0.0036 0.0112 0.0395
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Onchocerca volvulus 0.034 0.4089 0.5346
Leishmania major phospholipase A1, putative 0.034 0.4089 1
Schistosoma mansoni hypothetical protein 0.0033 0.0076 0.0099
Schistosoma mansoni hypothetical protein 0.004 0.0159 0.0207
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0084 0.0742 0.0747
Giardia lamblia Heat shock protein HSP 90-alpha 0.0054 0.0349 1
Brugia malayi RNA recognition motif domain containing protein 0.0209 0.2366 0.3101
Loa Loa (eye worm) MH2 domain-containing protein 0.0495 0.6113 0.7983
Loa Loa (eye worm) RNA binding protein 0.0209 0.2366 0.309
Schistosoma mansoni tar DNA-binding protein 0.0209 0.2366 0.309
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1472 0.1482
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0084 0.0742 0.1585
Loa Loa (eye worm) heat shock protein 75 0.0036 0.0112 0.0146
Brugia malayi hypothetical protein 0.0057 0.0382 0.0501
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1014 0.1328
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.0413 0.0539
Trypanosoma cruzi phospholipase A1, putative 0.034 0.4089 1
Loa Loa (eye worm) transcription factor SMAD2 0.0495 0.6113 0.7983
Loa Loa (eye worm) hypothetical protein 0.0612 0.7631 0.9965
Brugia malayi Hsp90 protein 0.0036 0.0112 0.0146
Loa Loa (eye worm) hypothetical protein 0.0188 0.2103 0.2747
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0382 0.068
Echinococcus granulosus importin subunit beta 1 0.0057 0.0393 0.0513
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0051 0.0305 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0192 0.2147 0.2162
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0036 0.0112 0.0146
Plasmodium vivax endoplasmin, putative 0.0054 0.0349 0.1426
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0178 0.0233
Brugia malayi Endoplasmin precursor 0.0054 0.0349 0.0457
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0178 0.0233
Toxoplasma gondii heat shock protein HSP90 0.0054 0.0349 0.1426
Echinococcus multilocularis geminin 0.0535 0.6625 0.667
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0742 0.1585
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0051 0.0305 0.0487
Loa Loa (eye worm) heat shock protein 90 0.0054 0.0349 0.0456
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0195 0.0254
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0251 0.0763
Entamoeba histolytica hypothetical protein 0.0192 0.2147 1
Entamoeba histolytica Ran family GTPase 0.0042 0.0195 0.0408
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0891 0.1168
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0209 0.2366 0.309
Echinococcus multilocularis endoplasmin 0.0051 0.0305 0.0308
Plasmodium falciparum endoplasmin, putative 0.0039 0.0155 0.045
Echinococcus multilocularis X box binding protein 1 0.028 0.3298 0.332
Echinococcus granulosus geminin 0.0535 0.6625 0.8651
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0891 0.0897
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0083 0.0108
Echinococcus multilocularis heat shock protein 90 0.0046 0.0247 0.0248
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0742 0.0747
Brugia malayi Isocitrate dehydrogenase 0.0084 0.0742 0.0972
Loa Loa (eye worm) hypothetical protein 0.0119 0.1197 0.1562
Onchocerca volvulus Huntingtin homolog 0.0119 0.1197 0.1545
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0021 0.0027
Brugia malayi TAR-binding protein 0.0209 0.2366 0.3101
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0247 0.0747
Echinococcus multilocularis protein dispatched 1 0.0047 0.0254 0.0256
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0742 0.1585
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0195 0.0209
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0273 0.0358
Entamoeba histolytica heat shock protein 90, putative 0.0054 0.0349 0.1166
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0076 0.0099
Schistosoma mansoni smad1 5 8 and 0.0034 0.0083 0.0108
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.0382 0.068
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0036 0.0112 0.0112
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0083 0.0083
Brugia malayi Importin beta-1 subunit 0.0057 0.0393 0.0515
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.058 0.076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1472 0.1922
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0393 0.1617
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0007 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1472 0.1482
Plasmodium vivax heat shock protein 86, putative 0.0054 0.0349 0.1426
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0195 0.0196
Trypanosoma cruzi heat shock protein 85, putative 0.0054 0.0349 0.0597
Schistosoma mansoni hypothetical protein 0.0033 0.0076 0.0099
Brugia malayi MH2 domain containing protein 0.0034 0.0083 0.0109
Schistosoma mansoni smad1 5 8 and 0.0034 0.0083 0.0108
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0156 0.1681 0.3946
Schistosoma mansoni hypothetical protein 0.004 0.0159 0.0207
Leishmania major hypothetical protein, conserved 0.0057 0.0382 0.068
Plasmodium falciparum plasmepsin II 0.0059 0.0413 0.1586
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0251 0.0763
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.0382 0.068
Entamoeba histolytica hypothetical protein 0.0047 0.0251 0.0684
Brugia malayi Phospholipase A2 family protein 0.0612 0.7631 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0084 0.0742 0.0969
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0393 0.0396
Echinococcus multilocularis heat shock protein 90 0.0054 0.0349 0.0351
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0305 0.0973
Loa Loa (eye worm) hypothetical protein 0.0072 0.058 0.0757
Echinococcus multilocularis tar DNA binding protein 0.0209 0.2366 0.2383
Plasmodium falciparum heat shock protein 90, putative 0.0205 0.2321 1
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0891 0.1164
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0305 0.0973
Brugia malayi hypothetical protein 0.0192 0.2147 0.2814
Schistosoma mansoni hypothetical protein 0.0033 0.0076 0.0099
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.0247 0.034
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0084 0.0742 0.3038
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0742 0.1585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1472 0.1922
Trypanosoma cruzi Heat shock protein 83, putative 0.0054 0.0349 0.0597
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1914 0.25
Brugia malayi RNA, U transporter 1 0.0163 0.1777 0.2329
Echinococcus granulosus heat shock protein 90 0.0054 0.0349 0.0456
Schistosoma mansoni tar DNA-binding protein 0.0209 0.2366 0.309
Schistosoma mansoni hypothetical protein 0.028 0.3298 0.4306
Plasmodium falciparum heat shock protein 90 0.0054 0.0349 0.1305
Schistosoma mansoni hypothetical protein 0.004 0.0159 0.0207
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2738 0.2756
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0084 0.0742 0.3136
Plasmodium vivax ataxin-2 like protein, putative 0.0057 0.0382 0.1571
Plasmodium falciparum plasmepsin VI 0.0059 0.0413 0.1586
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0195 0.0624
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0614 0.7658 1
Schistosoma mansoni hypothetical protein 0.0192 0.2147 0.2804
Brugia malayi Receptor family ligand binding region containing protein 0.0245 0.2844 0.3727
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0021 0.0027
Loa Loa (eye worm) hypothetical protein 0.005 0.0299 0.039
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.0382 0.1451
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Brugia malayi hypothetical protein 0.0037 0.012 0.0157
Schistosoma mansoni tar DNA-binding protein 0.0209 0.2366 0.309
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Loa Loa (eye worm) hypothetical protein 0.0059 0.0413 0.0539
Schistosoma mansoni endoplasmin 0.0054 0.0349 0.0456
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0742 0.0747
Plasmodium vivax heat shock protein, putative 0.0205 0.2321 1
Echinococcus multilocularis expressed conserved protein 0.009 0.0815 0.0821
Brugia malayi MH2 domain containing protein 0.0495 0.6113 0.8011
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0195 0.0756
Loa Loa (eye worm) hypothetical protein 0.0033 0.0076 0.0099
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2738 0.3575
Treponema pallidum heat shock protein 90 0.0051 0.0305 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0195 0.0209
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0393 0.0707
Schistosoma mansoni hypothetical protein 0.0072 0.058 0.0757
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0021 0.0027
Trypanosoma cruzi heat shock protein 90, putative 0.0054 0.0349 0.0597
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.0247 0.3383
Onchocerca volvulus Phospholipase A2 homolog 0.0612 0.7631 1
Onchocerca volvulus 0.034 0.4089 0.5346
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0209 0.2366 0.309
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Trichomonas vaginalis endoplasmin, putative 0.0039 0.0155 0.0394
Brugia malayi Pre-SET motif family protein 0.0029 0.0021 0.0027
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0251 0.0763
Plasmodium falciparum plasmepsin IV 0.0059 0.0413 0.1586
Schistosoma mansoni hypothetical protein 0.0033 0.0076 0.0099
Trypanosoma cruzi heat shock protein 85, putative 0.0054 0.0349 0.0597
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0788 0.9932 1
Trypanosoma cruzi phospholipase A1, putative 0.034 0.4089 1
Schistosoma mansoni hypothetical protein 0.0535 0.6625 0.8651
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0084 0.0742 0.045
Echinococcus granulosus expressed conserved protein 0.009 0.0815 0.1065
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0742 0.3136
Brugia malayi MH1 domain containing protein 0.0034 0.0083 0.0109
Echinococcus multilocularis protein patched 0.0041 0.0178 0.0179
Loa Loa (eye worm) Smad1 0.0034 0.0083 0.0108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1014 0.1324
Toxoplasma gondii heat shock protein 90, putative 0.0054 0.0349 0.1426
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1427 0.1437
Onchocerca volvulus 0.034 0.4089 0.5346
Onchocerca volvulus Huntingtin homolog 0.0119 0.1197 0.1545
Trypanosoma brucei Heat shock protein 83, putative 0.0054 0.0349 0.0597
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Schistosoma mansoni survival motor neuron protein 0.0048 0.0273 0.0357
Trypanosoma brucei heat shock protein, putative 0.0054 0.0349 0.0597
Echinococcus granulosus heat shock protein 90 0.0046 0.0247 0.0322
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Plasmodium vivax importin-beta 2, putative 0.0057 0.0393 0.1617
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0156 0.1681 0.3946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0021 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0021 0.0027
Trichomonas vaginalis set domain proteins, putative 0.023 0.2648 1
Trypanosoma brucei phospholipase A1, putative 0.034 0.4089 1
Leishmania major heat shock protein 83-1 0.0054 0.0349 0.0597
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0742 0.3136
Loa Loa (eye worm) hypothetical protein 0.0057 0.0382 0.0499
Mycobacterium ulcerans proteasome PrcA 0.0793 1 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0891 0.383
Echinococcus multilocularis snurportin 1 0.0614 0.7658 0.7711
Toxoplasma gondii Hsp90 domain-containing protein 0.0205 0.2321 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1472 0.1922
Loa Loa (eye worm) endoplasmin 0.0054 0.0349 0.0456
Loa Loa (eye worm) TAR-binding protein 0.0209 0.2366 0.309
Plasmodium vivax plasmepsin IV, putative 0.0059 0.0413 0.1703
Loa Loa (eye worm) hypothetical protein 0.0057 0.0393 0.0513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0076 0.0076
Echinococcus multilocularis GPCR, family 2 0.0033 0.0076 0.0076
Schistosoma mansoni heat shock protein 0.0036 0.0112 0.0146
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0195 0.0756
Loa Loa (eye worm) hypothetical protein 0.0237 0.2738 0.3575
Echinococcus granulosus Smad4 0.0034 0.0083 0.0108
Schistosoma mansoni hypothetical protein 0.004 0.0159 0.0207
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.0413 0.1703
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0178 0.0233
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0046 0.0247 0.0322

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 43 uM Inhibition of collagen-induced platelet aggregation in human platelet-rich plasma. ChEMBL. 8289199
EC50 (functional) = 43 uM Inhibition of collagen-induced platelet aggregation in human platelet-rich plasma. ChEMBL. 8289199
IC50 (binding) = 4 nM Inhibitory concentration against thromboxane A2 synthase ChEMBL. 16220969
IC50 (binding) = 19 nM Inhibitory concentration against thromboxane A2 receptor ChEMBL. 16220969
IC50 (binding) = 0.38 uM Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets. ChEMBL. 8289199
IC50 (binding) = 0.38 uM Displacement of the high affinity radiolabeled ligand [3H]- SQ-29,548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets. ChEMBL. 8289199
IC50 (binding) = 0.49 uM Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets. ChEMBL. 8289199
IC50 (binding) = 0.49 uM Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets. ChEMBL. 8289199

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

2 literature references were collected for this gene.

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