Detailed information for compound 21680

Basic information

Technical information
  • TDR Targets ID: 21680
  • Name: 5-[[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)p henyl]-1-benzothiophen-3-yl]methyl]-2-(pyrrol idin-1-ylmethyl)benzonitrile
  • MW: 537.715 | Formula: C33H35N3O2S
  • H donors: 1 H acceptors: 2 LogP: 6.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1cc(ccc1CN1CCCC1)Cc1c(sc2c1ccc(c2)O)c1ccc(cc1)OCCN1CCCC1
  • InChi: 1S/C33H35N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,23H2
  • InChiKey: FEGBXVNWDFYFQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzonitrile
  • 5-[[6-hydroxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-benzothiophenyl]methyl]-2-(1-pyrrolidinylmethyl)benzonitrile
  • 5-[[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzenecarbonitrile
  • 5-[[6-hydroxy-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methyl]-2-(pyrrolidinomethyl)benzonitrile
  • 5-[[6-hydroxy-2-[4-(2-1-pyrrolidinylethoxy)phenyl]-3-benzothiophenyl]methyl]-2-(1-pyrrolidinylmethyl)benzonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000015616
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0006 0.0006
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.006 0.006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.006 0.006
Echinococcus granulosus snurportin 1 0.0319 0.1932 0.1932
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0063 0.0063
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000015616
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0236 0.0224
Echinococcus granulosus Chromobox protein 3 0.0012 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.006 0.006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.006 0.006
Echinococcus multilocularis importin subunit beta 1 0.003 0.0117 0.0117
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.006 0.006
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0262 0.0249
Leishmania major adenosine kinase-like protein 0.0183 0.1077 0.1065
Trichomonas vaginalis chromobox protein, putative 0.0045 0.021 0.1201
Leishmania major putative PfkB family sugar kinase 0.0183 0.1077 0.1065
Echinococcus granulosus smad 0.0025 0.0087 0.0087
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.006 0.006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.006 0.006
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0067 0.0067
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.006 0.006
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0236 0.0236
Trichomonas vaginalis ribokinase, putative 0.0183 0.1077 0.6296
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.006 0.006
Brugia malayi Kringle domain containing protein 0.0021 0.0063 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.006 0.006
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0087 0.0087
Plasmodium vivax importin-beta 2, putative 0.003 0.0117 0.3446
Brugia malayi MH2 domain containing protein 0.0025 0.0087 0.0087
Echinococcus multilocularis Smad4 0.0025 0.0087 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Schistosoma mansoni smad 0.0025 0.0087 0.0087
Schistosoma mansoni smad1 5 8 and 0.0025 0.0087 0.0087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.006 0.006
Giardia lamblia Ribokinase 0.0183 0.1077 1
Echinococcus multilocularis programmed cell death protein 4 0.0064 0.0329 0.0329
Loa Loa (eye worm) MH2 domain-containing protein 0.0369 0.2247 0.2247
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0262 0.0249
Toxoplasma gondii kinase, pfkB family protein 0.0183 0.1077 0.1072
Brugia malayi MH1 domain containing protein 0.0025 0.0087 0.0087
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000024805
Echinococcus multilocularis adenosine kinase 0.1603 1 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.006 0.006
Onchocerca volvulus 0.0033 0.0134 0.0151
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Echinococcus granulosus bloom syndrome protein 0.0025 0.0086 0.0086
Mycobacterium leprae Probable adenosine kinase adk 0.0183 0.1077 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0236 0.0236
Leishmania major ribokinase, putative 0.0183 0.1077 0.1065
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.019 0.0215
Schistosoma mansoni smad1 5 8 and 0.0025 0.0087 0.0087
Echinococcus granulosus importin subunit beta 1 0.003 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0033 0.0137 0.0137
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0236 0.0236
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.006 0.006
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.006 0.006
Leishmania major adenosine kinase, putative 0.1603 1 1
Schistosoma mansoni ran 0.0022 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0183 0.1077 0.1077
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0114 0.0638
Brugia malayi steroid hormone receptor 0.0021 0.006 0.006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.006 0.006
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0236 0.713
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0236 0.0236
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0033 0.0137 0.0137
Brugia malayi chromobox protein homolog 3 0.0042 0.019 0.019
Onchocerca volvulus Ribokinase homolog 0.0183 0.1077 0.1217
Schistosoma mansoni hypothetical protein 0.0033 0.0137 0.0137
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0006 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.006 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0117 0.0104
Schistosoma mansoni adenosine kinase 0.1603 1 1
Schistosoma mansoni glutaminase 0.0283 0.1707 0.1707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.006 0.006
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.006 0.006
Loa Loa (eye worm) Smad1 0.0025 0.0087 0.0087
Trypanosoma cruzi adenosine kinase, putative 0.1603 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.006 0.006
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0236 0.0224
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0087 0.0087
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0067 0.0055
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0236 0.0236
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0086 0.047
Echinococcus granulosus GPCR family 2 0.0033 0.0137 0.0137
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0236 0.0231
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0087 0.0087
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.006 0.006
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0006 0.0006
Echinococcus granulosus ribokinase 0.0183 0.1077 0.1077
Schistosoma mansoni hypothetical protein 0.0033 0.0137 0.0137
Brugia malayi hypothetical protein 0.0183 0.1077 0.1077
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0064 0.0329 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0067 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.1077 0.6296
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0006 0.0006
Brugia malayi isocitrate dehydrogenase 0.0049 0.0236 0.0236
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0063 0.0063
Echinococcus multilocularis chromobox protein 1 0.0074 0.0395 0.0395
Plasmodium vivax hypothetical protein, conserved 0.0064 0.0329 1
Trypanosoma cruzi adenosine kinase, putative 0.1603 1 1
Schistosoma mansoni chromobox protein 0.0074 0.0395 0.0395
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0071 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.006 0.006
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0006 0.0006
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0086 0.0086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Trypanosoma cruzi ribokinase, putative 0.0183 0.1077 0.1065
Echinococcus granulosus programmed cell death protein 4 0.0064 0.0329 0.0329
Echinococcus multilocularis ribokinase 0.0183 0.1077 0.1077
Trypanosoma brucei adenosine kinase, putative 0.1603 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0111 0.0628 0.0628
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0063 0.005
Leishmania major adenosine kinase-like protein 0.0183 0.1077 0.1065
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.006 0.006
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0236 0.0224
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0067 0.1914
Schistosoma mansoni hypothetical protein 0.0523 0.3219 0.3219
Loa Loa (eye worm) glutaminase 2 0.0283 0.1707 0.1707
Schistosoma mansoni programmed cell death protein 0.0064 0.0329 0.0329
Echinococcus multilocularis smad 0.0025 0.0087 0.0087
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0006 0.0006
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0236 0.0231
Entamoeba histolytica ribokinase, putative 0.0183 0.1077 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0255 0.153 0.153
Brugia malayi Protein cec-1. 0.0012 0.0006 0.0006
Mycobacterium ulcerans glutaminase 0.0283 0.1707 1
Echinococcus multilocularis Chromo domain 0.0012 0.0006 0.0006
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.006 0.006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0137 0.0137
Schistosoma mansoni hypothetical protein 0.0071 0.0379 0.0379
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0012 0.0006 0.0006
Echinococcus multilocularis geminin 0.0523 0.3219 0.3219
Loa Loa (eye worm) hypothetical protein 0.0042 0.019 0.019
Mycobacterium tuberculosis Adenosine kinase 0.0183 0.1077 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Schistosoma mansoni chromobox protein 0.0012 0.0006 0.0006
Brugia malayi hypothetical protein 0.0111 0.0628 0.0628
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.006 0.006
Leishmania major importin beta-1 subunit, putative 0.0024 0.0082 0.0069
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0137 0.0137
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0262 0.0256
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0035 0.091
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0013 0.0068
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.006 0.006
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0086 0.047
Loa Loa (eye worm) hypothetical protein 0.0105 0.0587 0.0587
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0587 0.0587
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0006 0.0006
Onchocerca volvulus 0.0021 0.006 0.0068
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0137 0.0137
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0262 0.0249
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Trypanosoma brucei ribokinase, putative 0.0183 0.1077 0.1065
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0183 0.1077 0.1077
Loa Loa (eye worm) hypothetical protein 0.0053 0.0262 0.0262
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0078 0.0078
Trichomonas vaginalis glutaminase, putative 0.0283 0.1707 1
Onchocerca volvulus 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Schistosoma mansoni chromobox protein 0.0012 0.0006 0.0006
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0319 0.1932 0.1932
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0013 0.0043
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0395 0.2286
Brugia malayi CHD4 protein 0.0012 0.0006 0.0006
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0082 0.0069
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0006 0.0006
Echinococcus granulosus chromobox protein 2 0.0012 0.0006 0.0006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0111 0.0628 0.0628
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0183 0.1077 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Echinococcus granulosus Chromo domain 0.0012 0.0006 0.0006
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0183 0.1077 1
Echinococcus granulosus Smad4 0.0025 0.0087 0.0087
Onchocerca volvulus 0.0012 0.0006 0.0006
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0067 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.019 0.1085
Entamoeba histolytica hypothetical protein 0.0111 0.0628 0.5807
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0012 0.0006 0.000000000822
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.003 0.0117 0.0117
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.006 0.006
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.006 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0114 0.0638
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0082 0.0446
Brugia malayi RNA, U transporter 1 0.0085 0.0463 0.0463
Loa Loa (eye worm) glutaminase 0.0283 0.1707 0.1707
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Schistosoma mansoni programmed cell death protein 0.0064 0.0329 0.0329
Echinococcus multilocularis snurportin 1 0.0319 0.1932 0.1932
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000024805
Loa Loa (eye worm) hypothetical protein 0.0105 0.0592 0.0592
Brugia malayi nuclear hormone receptor 0.0021 0.006 0.006
Brugia malayi ecdysteroid receptor 0.0021 0.006 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0137 0.0137
Schistosoma mansoni transcription factor LCR-F1 0.0111 0.0628 0.0628
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0117 0.0111
Brugia malayi hypothetical protein 0.0012 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.006 0.006
Echinococcus granulosus chromobox protein 1 0.0074 0.0395 0.0395
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0087 0.0087
Schistosoma mansoni hypothetical protein 0.0033 0.0137 0.0137
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.1603 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.006 0.006
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0087 0.0087
Echinococcus multilocularis chromobox protein 1 0.0074 0.0395 0.0395
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0014 0.0017 0.0017
Schistosoma mansoni ribokinase 0.0183 0.1077 0.1077
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0379 0.0379
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0067 0.0067
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0006 0.0006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Brugia malayi MH2 domain containing protein 0.0369 0.2247 0.2247
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0111 0.0628 0.0628
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0006 0.000000000026591
Entamoeba histolytica hypothetical protein 0.0111 0.0628 0.5807
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000015616
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000015616
Entamoeba histolytica hypothetical protein 0.0111 0.0628 0.5807
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.006 0.006
Entamoeba histolytica hypothetical protein 0.0012 0.0006 0.00000000024805
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0063 0.0063
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0063 0.178
Trypanosoma cruzi adenosine kinase, putative 0.0183 0.1077 0.1065
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0262 0.7922
Schistosoma mansoni chromobox protein 0.0074 0.0395 0.0395
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0063 0.0063
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0105 0.0592 0.0668
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0592 0.5469
Schistosoma mansoni hypothetical protein 0.0021 0.0063 0.0063
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0086 0.0086
Toxoplasma gondii MA3 domain-containing protein 0.0064 0.0329 0.0323
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.006 0.006
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0262 0.7922
Mycobacterium tuberculosis Ribokinase RbsK 0.0183 0.1077 1
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.006 0.006
Brugia malayi MH1 domain containing protein 0.0014 0.0017 0.0017
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0137 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.006 0.006
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0006 0.0006
Echinococcus granulosus adenosine kinase 0.1603 1 1
Echinococcus granulosus chromobox protein 1 0.0074 0.0395 0.0395
Onchocerca volvulus Putative pyridoxal kinase 0.0183 0.1077 0.1217
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0137 0.0137
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000015616
Toxoplasma gondii kinase, pfkB family protein 0.1603 1 1
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0006 0.000000000822
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0082 0.0446
Schistosoma mansoni hypothetical protein 0.0523 0.3219 0.3219
Loa Loa (eye worm) hypothetical protein 0.0183 0.1077 0.1077
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0063 0.178
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0395 0.0395
Brugia malayi SET domain containing protein 0.0012 0.0006 0.0006
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0395 0.2286
Schistosoma mansoni ran 0.0022 0.0067 0.0067
Trypanosoma cruzi adenosine kinase, putative 0.0183 0.1077 0.1065
Schistosoma mansoni coup transcription factor 0.0021 0.006 0.006
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.006 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0319 0.1932 0.1932
Trypanosoma brucei adenosine kinase, putative 0.1603 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.006 0.006
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0067 0.0067
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0236 0.0236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.006 0.006
Loa Loa (eye worm) RecQ helicase 0.0025 0.0086 0.0086
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0262 0.7922
Brugia malayi MH1 domain containing protein 0.0014 0.0017 0.0017
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0236 0.0236
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0087 0.0087
Brugia malayi Heterochromatin protein 1 0.0074 0.0395 0.0395
Plasmodium falciparum importin beta, putative 0.003 0.0117 0.3446
Brugia malayi Protein kinase domain containing protein 0.0021 0.0063 0.0063
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0592 0.5469
Leishmania major tagatose-6-phosphate kinase-like protein 0.0183 0.1077 0.1065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0137 0.0137
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0034 0.0028
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0236 0.0224
Entamoeba histolytica fructokinase, putative 0.0183 0.1077 1
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0063 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0236 0.0236
Brugia malayi Smad1 0.0025 0.0087 0.0087
Echinococcus multilocularis chromobox protein 2 0.0012 0.0006 0.0006
Brugia malayi MH2 domain containing protein 0.0025 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0134
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.006 0.006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.006 0.006
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.006 0.006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0587 0.0587
Brugia malayi glutaminase DH11.1 0.0283 0.1707 0.1707
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.006 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.019 0.1085
Onchocerca volvulus 0.0183 0.1077 0.1217
Loa Loa (eye worm) nuclear factor I 0.0014 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.006 0.006
Trichomonas vaginalis chromobox protein, putative 0.0045 0.021 0.1201
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Onchocerca volvulus 0.0021 0.0063 0.0071
Schistosoma mansoni thyroid hormone receptor 0.0021 0.006 0.006
Loa Loa (eye worm) helicase 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0255 0.153 0.153
Schistosoma mansoni nuclear hormone receptor 0.0021 0.006 0.006
Brugia malayi Importin beta-1 subunit 0.003 0.0117 0.0117
Brugia malayi Ribokinase 0.0183 0.1077 0.1077
Schistosoma mansoni hypothetical protein 0.0024 0.0078 0.0078
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0087 0.0087
Leishmania major hypothetical protein, conserved 0.0021 0.0063 0.005
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0236 0.0224
Onchocerca volvulus 0.142 0.8852 1
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0592 0.5469
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0067 0.1888
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0067 0.0055
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0236 0.0236
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0183 0.1077 0.1077
Brugia malayi hypothetical protein 0.0053 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0125 0.0715 0.0715
Entamoeba histolytica hypothetical protein 0.0111 0.0628 0.5807
Trichomonas vaginalis ran, putative 0.0022 0.0067 0.0364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.006 0.006
Entamoeba histolytica Ran family GTPase 0.0022 0.0067 0.0578
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0006 0.0006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0006 0.00000000015616
Trichomonas vaginalis ribokinase, putative 0.0183 0.1077 0.6296
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0067 0.1914
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.006 0.006
Schistosoma mansoni adenosine kinase 0.1603 1 1
Brugia malayi MH1 domain containing protein 0.0025 0.0087 0.0087
Loa Loa (eye worm) transcription factor SMAD2 0.0369 0.2247 0.2247
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0006 0.0006
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0082 0.0446
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0117 0.0104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.006 0.006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.006 0.006
Brugia malayi nuclear receptor NHR-88 0.0021 0.006 0.006
Schistosoma mansoni Smad4 0.0025 0.0087 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.006 0.006
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0236 0.713
Echinococcus granulosus geminin 0.0523 0.3219 0.3219
Leishmania major GTP-binding protein, putative 0.0022 0.0067 0.0055
Schistosoma mansoni smad1 5 8 and 0.0025 0.0087 0.0087
Trichomonas vaginalis ribokinase, putative 0.0183 0.1077 0.6296
Onchocerca volvulus 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.006 0.006
Entamoeba histolytica kinase, PfkB family 0.0183 0.1077 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.021 0.0237
Echinococcus multilocularis GPCR, family 2 0.0033 0.0137 0.0137
Echinococcus granulosus FTZ F1 alpha 0.0021 0.006 0.006
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0053 0.0053
Brugia malayi HSF-type DNA-binding domain containing protein 0.0105 0.0592 0.0592
Leishmania major hypothetical protein, conserved 0.0053 0.0262 0.0249
Entamoeba histolytica hypothetical protein 0.0024 0.0082 0.0709
Leishmania major tagatose-6-phosphate kinase-like protein 0.0183 0.1077 0.1065
Trypanosoma brucei ribokinase, putative 0.0183 0.1077 0.1065
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0006 0.00000000024805
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.006 0.006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0006 0.0006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.006 0.006
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0183 0.1077 1
Schistosoma mansoni importin beta-1 0.003 0.0117 0.0117
Brugia malayi hypothetical protein 0.0034 0.0144 0.0144

Activities

Activity type Activity value Assay description Source Reference
K aps (binding) = 25600000 l M-1 Binding to human thrombin was measured using the inhibition of thrombinhydrolysis of Bz-Phe-Val-Arg-pNA ChEMBL. 10201846
K aps (binding) = 25600000 l M-1 Binding to human thrombin was measured using the inhibition of thrombinhydrolysis of Bz-Phe-Val-Arg-pNA ChEMBL. 10201846
K ass (binding) = 25.8 10e6 l M-1 Inhibition of thrombin ChEMBL. 10866380
K ass (binding) = 25.8 10e6 l M-1 Inhibition of thrombin ChEMBL. 10866380
Ki (binding) = 7.2 nM Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition ChEMBL. 10201846
Ki (binding) = 7.2 nM Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition ChEMBL. 10201846

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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