Detailed information for compound 67592

Basic information

Technical information
  • TDR Targets ID: 67592
  • Name: (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylp henyl)methoxy]-1-benzothiophen-2-yl]-2-pyridi n-4-ylprop-2-enoic acid
  • MW: 772.305 | Formula: C48H34ClNO5S
  • H donors: 1 H acceptors: 3 LogP: 11.83 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)Oc1c(/C=C(\c2ccncc2)/C(=O)O)sc2c1cc(OCc1cccc(c1)c1ccccc1)c(c2)OCc1cccc(c1)c1ccccc1
  • InChi: 1S/C48H34ClNO5S/c49-39-17-19-40(20-18-39)55-47-42-27-43(53-30-32-9-7-15-37(25-32)34-11-3-1-4-12-34)44(54-31-33-10-8-16-38(26-33)35-13-5-2-6-14-35)29-45(42)56-46(47)28-41(48(51)52)36-21-23-50-24-22-36/h1-29H,30-31H2,(H,51,52)/b41-28+
  • InChiKey: DBPBFLRIFPQFBT-SISPBFPDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylphenyl)methoxy]benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid
  • (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylphenyl)methoxy]-2-benzothiophenyl]-2-(4-pyridyl)-2-propenoic acid
  • (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylphenyl)methoxy]-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid
  • (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylbenzyl)oxy]benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid
  • (E)-3-[3-(4-chlorophenoxy)-5,6-bis[(3-phenylphenyl)methoxy]-2-benzothiophenyl]-2-(4-pyridyl)prop-2-enoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens serpin peptidase inhibitor, clade E (nexin, plasminogen activator inhibitor type 1), member 1 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
Brugia malayi serpin precursor serpin peptidase inhibitor, clade E (nexin, plasminogen activator inhibitor type 1), member 1 402 aa 383 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0047 0.0293
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0045 0.0086
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.1614 1
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.0824 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0027 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0332 0.0332
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Trichomonas vaginalis set domain proteins, putative 0.0721 0.4058 0.7967
Onchocerca volvulus 0.0103 0.0401 0.0966
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0047 0.0293
Plasmodium falciparum phd finger protein, putative 0.0119 0.0493 1
Onchocerca volvulus 0.0078 0.0253 0.0601
Schistosoma mansoni ferritin 0.0043 0.0046 0.0046
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0333 0.2065
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0054 0.0108 0.2195
Loa Loa (eye worm) hypothetical protein 0.0054 0.0108 0.0108
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.002 0.0126
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0174 0.0174
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0065 0.0174 0.0174
Brugia malayi Pre-SET motif family protein 0.0634 0.354 0.7895
Leishmania major hypothetical protein, conserved 0.0037 0.001 0.0059
Schistosoma mansoni apoferritin-2 0.0043 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0163 0.0163
Echinococcus granulosus geminin 0.086 0.4883 0.4883
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Loa Loa (eye worm) jmjC domain-containing protein 0.0203 0.099 0.099
Mycobacterium ulcerans aminopeptidase N PepN 0.0092 0.0333 0.1365
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Onchocerca volvulus 0.0083 0.0284 0.0678
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.0284 0.0284
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0654 0.405
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.1188 0.4969
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1725 1 1
Schistosoma mansoni chromobox protein 0.0071 0.0211 0.0211
Loa Loa (eye worm) jmjC domain-containing protein 0.0245 0.124 0.124
Brugia malayi hypothetical protein 0.0237 0.1194 0.2662
Onchocerca volvulus 0.0092 0.0333 0.08
Brugia malayi bZIP transcription factor family protein 0.0099 0.0379 0.0846
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0069 0.0069
Onchocerca volvulus Glucosylceramidase homolog 0.0166 0.0771 0.1881
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0077 0.0172
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Echinococcus multilocularis PHD finger protein rhinoceros 0.0119 0.0493 0.0493
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0054 0.0108 0.0108
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0092 0.0333 0.0654
Brugia malayi chromobox protein homolog 3 0.004 0.0027 0.0059
Loa Loa (eye worm) hypothetical protein 0.012 0.05 0.05
Schistosoma mansoni chromobox protein 0.0071 0.0211 0.0211
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0099 0.0379 0.0379
Brugia malayi hypothetical protein 0.0078 0.0253 0.0564
Loa Loa (eye worm) hypothetical protein 0.012 0.05 0.05
Echinococcus granulosus aminopeptidase N 0.0092 0.0333 0.0333
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0.0333 0.2065
Schistosoma mansoni hypothetical protein 0.0048 0.0077 0.0077
Schistosoma mansoni ferritin light chain 0.0043 0.0046 0.0046
Toxoplasma gondii aminopeptidase N, putative 0.0092 0.0333 0.6761
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0069 0.0069
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0087 0.0308 0.0308
Schistosoma mansoni ferritin light chain 0.0043 0.0046 0.0046
Echinococcus granulosus arachidonate 5 lipoxygenase 0.014 0.0617 0.0617
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.001 0.001
Treponema pallidum fructose-bisphosphate aldolase 0.0896 0.5093 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0333 0.2065
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0092 0.0333 0.2065
Brugia malayi AF-10 protein 0.0039 0.002 0.0045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.1285 0.2865
Echinococcus granulosus jumonji domain containing 1A 0.0054 0.0108 0.0108
Loa Loa (eye worm) jmjC domain-containing protein 0.0054 0.0108 0.0108
Echinococcus granulosus phd:f box containing protein 0.0054 0.0108 0.0108
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0174 0.0174
Schistosoma mansoni alpha-glucosidase 0.0137 0.0602 0.0602
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Mycobacterium ulcerans glutaminase 0.0274 0.1413 0.5916
Schistosoma mansoni jumonji/arid domain-containing protein 0.0203 0.099 0.099
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0174 0.0389
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0092 0.0333 0.2065
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0047 0.0293
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0055 0.0118 0.0118
Echinococcus multilocularis lysine specific demethylase 5A 0.0201 0.0981 0.0981
Onchocerca volvulus Huntingtin homolog 0.012 0.05 0.121
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.1194 0.1194
Schistosoma mansoni survival motor neuron protein 0.0048 0.0077 0.0077
Echinococcus multilocularis geminin 0.086 0.4883 0.4883
Toxoplasma gondii aminopeptidase N protein 0.0092 0.0333 0.6761
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0049 0.0081 0.0081
Trichomonas vaginalis glutaminase, putative 0.0274 0.1413 0.2773
Loa Loa (eye worm) hypothetical protein 0.0097 0.0363 0.0363
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0219 0.1085 0.1085
Echinococcus granulosus JmjC domain containing protein 4 0.0054 0.0108 0.0108
Mycobacterium ulcerans bacterioferritin BfrA 0.0043 0.0046 0.0152
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0211 0.0415
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0896 0.5093 1
Schistosoma mansoni hypothetical protein 0.086 0.4883 0.4883
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Brugia malayi glutaminase DH11.1 0.0274 0.1413 0.315
Loa Loa (eye worm) hypothetical protein 0.0091 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0083 0.0284 0.0284
Echinococcus multilocularis dnaJ subfamily B 0.04 0.2157 0.2157
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0092 0.0333 0.0333
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.001 0.0019
Brugia malayi Peptidase family M1 containing protein 0.0092 0.0333 0.0743
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0333 0.2065
Leishmania major hypothetical protein, conserved 0.0054 0.0108 0.067
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0054 0.0108 0.067
Trichomonas vaginalis esterase, putative 0.0037 0.001 0.0019
Echinococcus multilocularis phd:f box containing protein 0.0054 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0054 0.0108 0.0108
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0733 0.0733
Loa Loa (eye worm) beta-lactamase 0.0037 0.001 0.001
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0211 0.0415
Loa Loa (eye worm) hypothetical protein 0.0237 0.1194 0.1194
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Echinococcus granulosus ferritin 0.0043 0.0046 0.0046
Loa Loa (eye worm) PHD-finger family protein 0.0119 0.0493 0.0493
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.004 0.003 0.003
Brugia malayi beta-lactamase 0.0037 0.001 0.0021
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.0332 0.0332
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0446 0.243 0.243
Echinococcus multilocularis GPCR, family 2 0.0065 0.0174 0.0174
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.001 0.001
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.1614 1
Echinococcus granulosus jun protein 0.0099 0.0379 0.0379
Echinococcus granulosus expressed protein 0.0043 0.0046 0.0046
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.001 0.0019
Brugia malayi PHD-finger family protein 0.0119 0.0493 0.1099
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Schistosoma mansoni hypothetical protein 0.0065 0.0174 0.0174
Toxoplasma gondii PHD-finger domain-containing protein 0.0119 0.0493 1
Schistosoma mansoni ferritin 0.0043 0.0046 0.0046
Schistosoma mansoni jumonji domain containing protein 0.0054 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0065 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.0027
Brugia malayi Peptidase family M1 containing protein 0.0092 0.0333 0.0743
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0092 0.0333 0.2065
Loa Loa (eye worm) glutaminase 0.0274 0.1413 0.1413
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.0284 0.0633
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.1003 0.2237
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0055 0.0118 0.0118
Loa Loa (eye worm) aminopeptidase N 0.0092 0.0333 0.0333
Brugia malayi Pre-SET motif family protein 0.0091 0.0332 0.074
Echinococcus granulosus peregrin 0.0119 0.0493 0.0493
Trypanosoma cruzi aminopeptidase, putative 0.0092 0.0333 0.2065
Schistosoma mansoni ferritin 0.0043 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Echinococcus granulosus GPCR family 2 0.0065 0.0174 0.0174
Echinococcus multilocularis expressed protein 0.0043 0.0046 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.001 0.0059
Brugia malayi beta-lactamase family protein 0.0037 0.001 0.0021
Brugia malayi hypothetical protein 0.012 0.05 0.1114
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0174 0.0389
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0069 0.0153
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.001 0.0019
Schistosoma mansoni apoferritin-2 0.0043 0.0046 0.0046
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.0824 0.1618
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.0733 0.1635
Toxoplasma gondii aminopeptidase n, putative 0.0092 0.0333 0.6761
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.1003 0.2237
Schistosoma mansoni hypothetical protein 0.0081 0.0269 0.0269
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.0751 0.3127
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.001 0.0059
Schistosoma mansoni protein phosphatase 2C 0.0054 0.0108 0.0108
Brugia malayi beta-lactamase family protein 0.0037 0.001 0.0021
Plasmodium vivax JmjC domain containing protein 0.0054 0.0108 0.2041
Schistosoma mansoni hypothetical protein 0.0119 0.0493 0.0493
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.0284 0.0284
Brugia malayi Heterochromatin protein 1 0.0071 0.0211 0.0472
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.001 0.0059
Brugia malayi jmjC domain containing protein 0.0054 0.0108 0.0241
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0446 0.243 0.243
Loa Loa (eye worm) hypothetical protein 0.0037 0.001 0.001
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.001 0.0019
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0092 0.0333 0.2065
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.0654 0.405
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0103 0.064
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0092 0.0333 0.6548
Schistosoma mansoni jun-related protein 0.0081 0.0269 0.0269
Trypanosoma brucei aminopeptidase, putative 0.0092 0.0333 0.2065
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.0602 0.0602
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0092 0.0333 0.0654
Brugia malayi hypothetical protein 0.0092 0.0333 0.0743
Brugia malayi Cytochrome P450 family protein 0.0058 0.0133 0.0296
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Echinococcus multilocularis aminopeptidase N 0.0092 0.0333 0.0333
Brugia malayi Peptidase family M1 containing protein 0.0092 0.0333 0.0743
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0069 0.0069
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.001 0.001
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.0284 0.0284
Onchocerca volvulus 0.0721 0.4058 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Brugia malayi jmjC domain containing protein 0.0054 0.0108 0.0241
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.1194 0.1194
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0332 0.0332
Brugia malayi jmjC domain containing protein 0.0054 0.0108 0.0241
Onchocerca volvulus 0.0092 0.0333 0.08
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.002 0.0126
Onchocerca volvulus Huntingtin homolog 0.012 0.05 0.121
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.0733 0.0733
Schistosoma mansoni lipoxygenase 0.014 0.0617 0.0617
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0047 0.0293
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.1614 1
Echinococcus granulosus chromobox protein 1 0.0071 0.0211 0.0211
Entamoeba histolytica aminopeptidase, putative 0.0092 0.0333 0.0654
Schistosoma mansoni glutaminase 0.0274 0.1413 0.1413
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0054 0.0108 0.2195
Plasmodium vivax hypothetical protein, conserved 0.004 0.003 0.0432
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.1003 0.1003
Onchocerca volvulus 0.0092 0.0336 0.0806
Trypanosoma cruzi Aminopeptidase M1, putative 0.0092 0.0333 0.2065
Onchocerca volvulus 0.0048 0.0077 0.0167
Loa Loa (eye worm) jmjC domain-containing protein 0.0054 0.0108 0.0108
Loa Loa (eye worm) TATA binding protein associated factor 0.0092 0.0333 0.0333
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Onchocerca volvulus 0.0092 0.0333 0.08
Echinococcus multilocularis jumonji domain containing 1A 0.0054 0.0108 0.0108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0069 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.1285 0.2523
Brugia malayi PHD-finger family protein 0.004 0.003 0.0066
Toxoplasma gondii PHD-finger domain-containing protein 0.0039 0.002 0.0412
Echinococcus multilocularis jun protein 0.0099 0.0379 0.0379
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0438 0.2381 1
Echinococcus multilocularis chromobox protein 1 0.0071 0.0211 0.0211
Giardia lamblia Fructose-bisphosphate aldolase 0.0896 0.5093 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0174 0.0174
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.0654 0.405
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0045 0.0087
Loa Loa (eye worm) hypothetical protein 0.014 0.062 0.062
Plasmodium falciparum JmjC domain-containing protein, putative 0.0054 0.0108 0.1681
Loa Loa (eye worm) glutaminase 2 0.0274 0.1413 0.1413
Echinococcus granulosus lysine specific demethylase 5A 0.0203 0.099 0.099
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0054 0.0108 0.067
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.0733 0.0733
Loa Loa (eye worm) peptidase family M1 containing protein 0.0092 0.0333 0.0333
Brugia malayi jmjC domain containing protein 0.0203 0.099 0.2208
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0333 0.2065
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0039 0.002 0.0412
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1725 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0092 0.0333 0.0654
Loa Loa (eye worm) hypothetical protein 0.0092 0.0333 0.0333
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.014 0.0617 0.0617
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0092 0.0333 0.0333
Brugia malayi TATA binding protein associated factor 0.0092 0.0333 0.0743
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0069 0.0069
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0092 0.0333 0.6548
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0092 0.0333 0.6697
Toxoplasma gondii ABC1 family protein 0.0037 0.001 0.0194
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0438 0.2381 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0043 0.0046 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0103 0.0401 0.0401
Toxoplasma gondii hypothetical protein 0.005 0.0085 0.1723
Schistosoma mansoni lipoxygenase 0.0098 0.0369 0.0369
Schistosoma mansoni phd/f-box containing protein 0.0054 0.0108 0.0108
Echinococcus multilocularis jumonji domain containing protein 0.0165 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0205 0.1003 0.1003
Mycobacterium ulcerans hypothetical protein 0.0162 0.0751 0.3127
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.001 0.001
Echinococcus granulosus jumonji domain containing protein 0.0165 0.0768 0.0768
Brugia malayi F/Y-rich N-terminus family protein 0.0051 0.0091 0.0203
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.001 0.0021
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.1614 1
Schistosoma mansoni hypothetical protein 0.04 0.2157 0.2157
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0099 0.0379 0.0379
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0211 0.0211
Plasmodium vivax hypothetical protein, conserved 0.0119 0.0493 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0174 0.0174
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0092 0.0333 0.0333
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0054 0.0108 0.067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.014 0.062 0.062
Brugia malayi Bromodomain containing protein 0.0119 0.0493 0.1099
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.062 0.1382
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0027 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Schistosoma mansoni hypothetical protein 0.0065 0.0174 0.0174
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0896 0.5093 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0332 0.0332
Schistosoma mansoni aminopeptidase A (M01 family) 0.0092 0.0333 0.0333
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.1285 0.1285
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.0332 0.0332
Mycobacterium ulcerans bacterioferritin BfrB 0.0043 0.0046 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0092 0.0333 0.6697
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0045 0.0087
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0092 0.0333 0.2065
Plasmodium vivax SET domain protein, putative 0.0091 0.0332 0.6667
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0438 0.2381 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0896 0.5093 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0634 0.354 0.354
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0092 0.0333 0.2065
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0174 0.0174
Schistosoma mansoni hypothetical protein 0.086 0.4883 0.4883
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0027 0.0052
Echinococcus multilocularis lysine specific demethylase 6a 0.0054 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0039 0.002 0.002
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0125 0.2544
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1725 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.0332 0.0332
Toxoplasma gondii PHD-finger domain-containing protein 0.0119 0.0493 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0054 0.0108 0.0108
Trypanosoma cruzi aminopeptidase, putative 0.0092 0.0333 0.2065
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0043 0.0046 0.0152
Echinococcus multilocularis JmjC domain containing protein 4 0.0054 0.0108 0.0108
Trichomonas vaginalis ferritin, putative 0.0043 0.0046 0.009
Echinococcus multilocularis peregrin 0.0119 0.0493 0.0493
Brugia malayi hypothetical protein 0.0092 0.0333 0.0743
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0069 0.0069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0069 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.001 0.0019
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0133 0.0133
Echinococcus multilocularis chromobox protein 1 0.0071 0.0211 0.0211
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0043 0.0046 0.0152
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0091 0.0332 0.6732
Brugia malayi hypothetical protein 0.0793 0.4485 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0119 0.0493 0.0493
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0119 0.0493 0.0493
Echinococcus granulosus dnaJ subfamily B 0.04 0.2157 0.2157
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0092 0.0333 0.0333
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0043 0.0046 0.0152
Schistosoma mansoni jumonji/arid domain-containing protein 0.0203 0.099 0.099
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.0771 0.1514
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0092 0.0333 0.0333
Echinococcus multilocularis ferritin 0.0043 0.0046 0.0046
Onchocerca volvulus Alhambra homolog 0.0119 0.0493 0.1194
Schistosoma mansoni phosphatidylserine receptor 0.0054 0.0108 0.0108
Schistosoma mansoni jumonji domain containing protein 0.0366 0.1958 0.1958
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0.0333 0.2065
Loa Loa (eye worm) hypothetical protein 0.0119 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0092 0.0333 0.0333
Mycobacterium ulcerans aminopeptidase N PepN 0.0092 0.0333 0.1365
Brugia malayi jmjC domain containing protein 0.0054 0.0108 0.0241
Brugia malayi jmjC domain containing protein 0.0446 0.243 0.5419
Schistosoma mansoni ferritin 0.0043 0.0046 0.0046
Echinococcus granulosus chromobox protein 1 0.0071 0.0211 0.0211
Echinococcus granulosus lysine specific demethylase 6a 0.0054 0.0108 0.0108

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.22 uM Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex formation in t-PA-induced fibrin clot lysis assay ChEMBL. 12729646
IC50 (binding) = 0.22 uM Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex formation in t-PA-induced fibrin clot lysis assay ChEMBL. 12729646

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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