Detailed information for compound 433849

Basic information

Technical information
  • TDR Targets ID: 433849
  • Name: 2,5-bis[6-[ethyl(thiophen-2-ylmethyl)amino]he xylamino]cyclohexa-2,5-diene-1,4-dione
  • MW: 584.879 | Formula: C32H48N4O2S2
  • H donors: 2 H acceptors: 2 LogP: 6.5 Rotable bonds: 22
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(Cc1cccs1)CCCCCCNC1=CC(=O)C(=CC1=O)NCCCCCCN(Cc1cccs1)CC
  • InChi: 1S/C32H48N4O2S2/c1-3-35(25-27-15-13-21-39-27)19-11-7-5-9-17-33-29-23-32(38)30(24-31(29)37)34-18-10-6-8-12-20-36(4-2)26-28-16-14-22-40-28/h13-16,21-24,33-34H,3-12,17-20,25-26H2,1-2H3
  • InChiKey: HNOUEYJFOGZGJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,5-bis[6-[ethyl(2-thienylmethyl)amino]hexylamino]-1,4-benzoquinone
  • 2,5-bis[6-[ethyl(2-thenyl)amino]hexylamino]-p-benzoquinone
  • 2,5-bis[6-(ethyl-(thiophen-2-ylmethyl)amino)hexylamino]cyclohexa-2,5-diene-1,4-dione
  • 2,5-bis[6-(ethyl-(2-thienylmethyl)amino)hexylamino]-1,4-benzoquinone
  • 2,5-bis[6-(ethyl-(2-thienylmethyl)amino)hexylamino]-p-benzoquinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens butyrylcholinesterase Starlite/ChEMBL References
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0121 0.0121
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0745 0.2957
Loa Loa (eye worm) hypothetical protein 0.0014 0.0057 0.0089
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0135 0.0037
Loa Loa (eye worm) hypothetical protein 0.0015 0.0075 0.0117
Leishmania major DNA polymerase eta, putative 0.0014 0.0057 0.0225
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0075 0.0075
Giardia lamblia Telomerase catalytic subunit 0.0176 0.2519 0.5959
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0263 0.0263
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0075 0.0296
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0448 0.1779
Schistosoma mansoni DNA helicase recq5 0.0019 0.0135 0.0135
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0129 0.0512
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0594 0.2357
Schistosoma mansoni DNA helicase recq1 0.0019 0.0135 0.0135
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0709 0.0709
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1945 1
Brugia malayi MAP kinase sur-1 0.0049 0.0594 0.0853
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0709 0.0709
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0745 0.383
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0075 0.0075
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0129 0.0663
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0709 0.0709
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0594 0.2357
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0594 0.1176
Loa Loa (eye worm) hypothetical protein 0.0019 0.0134 0.021
Echinococcus granulosus acetylcholinesterase 0.0164 0.2327 0.2327
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.1243 0.1785
Brugia malayi Carboxylesterase family protein 0.0164 0.2327 0.3342
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0135 0.0135
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0121 0.0189
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0075 0.0075
Echinococcus granulosus RUN 0.0019 0.0134 0.0134
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0135 0.0037
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0594 0.1176
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0263 0.0263
Brugia malayi Carboxylesterase family protein 0.0028 0.0263 0.0378
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0745 0.107
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0594 0.1176
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.1243 0.1954
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.2327 0.2327
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Schistosoma mansoni hypothetical protein 0.0019 0.0134 0.0134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0263 0.0263
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0075 0.0117
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0135 0.0195
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0088 0.0348
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0562 0.0883
Loa Loa (eye worm) hypothetical protein 0.0164 0.2327 0.3657
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0263 0.0263
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0263 0.0263
Schistosoma mansoni polycystin 1-related 0.0019 0.0134 0.0134
Brugia malayi jmjC domain containing protein 0.0015 0.0075 0.0107
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0134 0.0134
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0709 0.0709
Loa Loa (eye worm) runx1 0.0054 0.0661 0.104
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0301 0.1196
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0121 0.0188
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0075 0.0075
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0135 0.0538
Onchocerca volvulus 0.0028 0.0263 0.0136
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Onchocerca volvulus 0.0028 0.0263 0.0136
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0448 0.1779
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0263 0.0263
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0134 0.0134
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0134 0.0134
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0709 0.0709
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0092 0.1243 0.1785
Brugia malayi hypothetical protein 0.0019 0.0134 0.0192
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.0057 0.0057
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0176 0.2519 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0092 0.1243 0.1954
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0121 0.0173
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0656 0.0656
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0129 0.0203
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.4145 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0075 0.0075
Schistosoma mansoni acetylcholinesterase 0.0028 0.0263 0.0263
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0594 0.0594
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.4145 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.0057 0.0057
Echinococcus multilocularis RUN 0.0019 0.0134 0.0134
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0135 0.0192
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0745 0.0745
Schistosoma mansoni lipoxygenase 0.0019 0.0134 0.0134
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0594 0.2357
Echinococcus granulosus neuroligin 0.0028 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0015 0.0075 0.0117
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0135 0.0538
Brugia malayi jmjC domain containing protein 0.0057 0.0709 0.1019
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0594 0.2357
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0075 0.0296
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0448 0.1779
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0075 0.0117
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0121 0.0479
Echinococcus multilocularis neuroligin 0.0028 0.0263 0.0263
Brugia malayi Cytochrome P450 family protein 0.0047 0.0562 0.0807
Loa Loa (eye worm) RecQ helicase 0.0019 0.0135 0.0213
Mycobacterium ulcerans carboxylesterase, LipT 0.0028 0.0263 0.1354
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Onchocerca volvulus 0.0092 0.1243 0.1167
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Echinococcus granulosus tumor protein p63 0.0328 0.4817 0.4817
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0075 0.0117
Echinococcus granulosus carboxylesterase 5A 0.0164 0.2327 0.2327
Echinococcus multilocularis acetylcholinesterase 0.0164 0.2327 0.2327
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0075 0.0296
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0135 0.0195
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0594 0.2357
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0656 0.0656
Loa Loa (eye worm) hypothetical protein 0.0092 0.1243 0.1954
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0594 0.2357
Onchocerca volvulus 0.0092 0.1243 0.1167
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0263 0.0263
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0088 0.0348
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0135 0.0135
Schistosoma mansoni tyrosinase precursor 0.0092 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0121 0.062
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4145 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0134 0.0243
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0075 0.0296
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0135 0.0249
Loa Loa (eye worm) hypothetical protein 0.043 0.6363 1
Brugia malayi Carboxylesterase family protein 0.0028 0.0263 0.0378
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0448 0.2304
Onchocerca volvulus 0.0092 0.1243 0.1167
Loa Loa (eye worm) carboxylesterase 0.0028 0.0263 0.0414
Loa Loa (eye worm) carboxylesterase 0.0028 0.0263 0.0414
Leishmania major hypothetical protein, conserved 0.0015 0.0075 0.0296
Schistosoma mansoni DNA polymerase eta 0.0014 0.0057 0.0057
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0057 0.0082
Trypanosoma brucei protein kinase, putative 0.0049 0.0594 0.2357
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0448 0.1779
Loa Loa (eye worm) hypothetical protein 0.043 0.6363 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.0135 0.0249
Brugia malayi Carboxylesterase family protein 0.0028 0.0263 0.0378
Echinococcus multilocularis tumor protein p63 0.0328 0.4817 0.4817
Schistosoma mansoni loxhd1 0.0019 0.0134 0.0134
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.0135 0.0037
Brugia malayi Carboxylesterase family protein 0.0028 0.0263 0.0378
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.0213
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.1243 0.1785
Brugia malayi Cytochrome P450 family protein 0.0019 0.0129 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0154 0.0791
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0135 0.0135
Brugia malayi polk-prov protein 0.003 0.0301 0.0433
Toxoplasma gondii exonuclease III APE 0.0018 0.0121 0.0479
Leishmania major cytochrome p450-like protein 0.0019 0.0129 0.0512
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0745 0.383
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.0057 0.0057
Schistosoma mansoni tyrosinase precursor 0.0092 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0709 0.0709
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0709 0.1115
Schistosoma mansoni rab6-interacting 0.0019 0.0134 0.0134
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0134 0.021
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0594 0.0594
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0176 0.2519 1
Onchocerca volvulus 0.0028 0.0263 0.0136
Brugia malayi hypothetical protein 0.043 0.6363 0.9139
Loa Loa (eye worm) hypothetical protein 0.0015 0.0075 0.0117
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.0594 0.2357
Brugia malayi jmjC domain containing protein 0.0057 0.0709 0.1019
Loa Loa (eye worm) tyrosinase 1 0.0092 0.1243 0.1954
Echinococcus granulosus dna polymerase kappa 0.004 0.0448 0.0448
Plasmodium vivax telomerase reverse transcriptase, putative 0.0176 0.2519 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.0057 0.0057
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0129 0.0203
Brugia malayi jmjC domain containing protein 0.0015 0.0075 0.0107
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0135 0.0037
Echinococcus granulosus acetylcholinesterase 0.0164 0.2327 0.2327
Schistosoma mansoni rab6-interacting 0.0019 0.0134 0.0134
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0263 0.0355
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0594 0.1176
Loa Loa (eye worm) hypothetical protein 0.0019 0.0134 0.021
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0448 0.2304
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.0057 0.0089
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0134 0.0134
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.0007 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.1243 0.1785
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0135 0.0135
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0129 0.0512
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0129 0.0512
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0121 0.0188
Mycobacterium tuberculosis Carboxylesterase LipT 0.0028 0.0263 0.1354
Echinococcus multilocularis acetylcholinesterase 0.0164 0.2327 0.2327
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0745 0.383
Schistosoma mansoni ap endonuclease 0.0018 0.0121 0.0121
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0594 0.0594
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0135 0.0135
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0263 0.1354
Brugia malayi jmjC domain containing protein 0.0015 0.0075 0.0107
Brugia malayi ShTK domain containing protein 0.0092 0.1243 0.1785
Brugia malayi Cytochrome P450 family protein 0.0019 0.0129 0.0185
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0448 0.1779
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Leishmania major telomerase reverse transcriptase, putative 0.0176 0.2519 1
Brugia malayi Doublecortin family protein 0.0019 0.0134 0.0192
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0134 0.0134
Echinococcus granulosus phd:f box containing protein 0.0015 0.0075 0.0075
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0134 0.0243
Onchocerca volvulus 0.0028 0.0263 0.0136
Onchocerca volvulus 0.043 0.6363 0.6554
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.0351 0.1394
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0646 0.9637 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0121 0.0121
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4145 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.0594 0.2357
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0075 0.0075
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.0594 0.1176
Trypanosoma brucei telomerase reverse transcriptase 0.0176 0.2519 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1945 1
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.2327 0.2327
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0448 0.0814
Giardia lamblia DINP protein human, muc B family 0.002 0.0154 0.0083
Echinococcus granulosus dna polymerase eta 0.0014 0.0057 0.0057
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0154 0.0611
Onchocerca volvulus 0.0092 0.1243 0.1167
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0154 0.0611
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0075 0.0075
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0594 0.0933
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1945 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0448 0.0814
Schistosoma mansoni lozenge 0.0054 0.0661 0.0661
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0263 0.0263
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0075 0.0296
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0121 0.5
Echinococcus multilocularis Protein lozenge 0.0054 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0048 0.0572 0.0898
Loa Loa (eye worm) carboxylesterase 0.0164 0.2327 0.3657
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0057 0.0225
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0263 0.0263
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0028 0.0263 0.1354
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0448 0.1779
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Brugia malayi hypothetical protein 0.0028 0.0263 0.0378
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0414
Brugia malayi jmjC domain containing protein 0.0015 0.0075 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0088 0.0348
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0129 0.0203
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0135 0.0538
Leishmania major DNA polymerase kappa, putative 0.002 0.0154 0.0611
Schistosoma mansoni gliotactin 0.0028 0.0263 0.0263
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0709 0.0709
Echinococcus multilocularis dna polymerase kappa 0.004 0.0448 0.0448
Echinococcus granulosus bloom syndrome protein 0.0019 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.003 0.0301 0.0473
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Brugia malayi Carboxylesterase family protein 0.0164 0.2327 0.3342
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0572 0.0572
Brugia malayi Common central domain of tyrosinase family protein 0.0092 0.1243 0.1785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4145 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0631 0.0992
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0075 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0448 0.1779
Toxoplasma gondii RNA-directed DNA polymerase 0.0176 0.2519 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0121 0.0479
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0121 0.0156
Onchocerca volvulus 0.0028 0.0263 0.0136
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0135 0.0538
Plasmodium falciparum telomerase reverse transcriptase 0.0176 0.2519 1
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0057 0.0082
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0301 0.1196
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0263 0.0263
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0745 0.0745
Brugia malayi hypothetical protein 0.0019 0.0134 0.0192
Schistosoma mansoni lipoxygenase 0.0054 0.0656 0.0656
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0121 0.062
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.2327 0.3657
Brugia malayi Telomerase reverse transcriptase 0.0469 0.6962 1
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0594 0.0594
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0263 0.0355
Loa Loa (eye worm) hypothetical protein 0.0164 0.2327 0.3657
Trypanosoma brucei unspecified product 0.0033 0.0351 0.1394
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0135 0.0213
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0745 0.0745
Onchocerca volvulus 0.0048 0.0572 0.0461
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0594 0.0594
Mycobacterium tuberculosis Conserved hypothetical protein 0.0014 0.0057 0.0292
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0075 0.0075
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0135 0.0538
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0121 0.0479
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0075 0.0075
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.1243 0.1954
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0075 0.0075
Trypanosoma brucei DNA polymerase eta, putative 0.0014 0.0057 0.0225
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0075 0.0075
Echinococcus multilocularis dna polymerase eta 0.0014 0.0057 0.0057
Schistosoma mansoni ap endonuclease 0.0018 0.0121 0.0121
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0134 0.0134
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0121 0.0479
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0135 0.0195

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 60.4 nM Inhibition of human recombinant acetylcholinesterase ChEMBL. 17850125
IC50 (binding) = 60.4 nM Inhibition of human recombinant acetylcholinesterase ChEMBL. 17850125
IC50 (binding) = 2790 nM Inhibition of human recombinant butyrylcholinesterase ChEMBL. 17850125
IC50 (binding) = 2790 nM Inhibition of human recombinant butyrylcholinesterase ChEMBL. 17850125
Inhibition (binding) Inhibition of human AChE-induced amyloid beta (1-40) aggregation at 100 uM ChEMBL. 17850125
Inhibition (binding) 0 Inhibition of human AChE-induced amyloid beta (1-40) aggregation at 100 uM ChEMBL. 17850125
Inhibition (binding) = 43.8 % Inhibition of self-induced amyloid beta (1-40) aggregation at 10 uM by thioflavin T based fluorometric assay ChEMBL. 17850125
Inhibition (binding) = 43.8 % Inhibition of self-induced amyloid beta (1-40) aggregation at 10 uM by thioflavin T based fluorometric assay ChEMBL. 17850125

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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