Detailed information for compound 1123070

Basic information

Technical information
  • TDR Targets ID: 1123070
  • Name: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
  • MW: 300.351 | Formula: C21H16O2
  • H donors: 1 H acceptors: 1 LogP: 5.66 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2
  • InChi: 1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
  • InChiKey: SYSSVMYYSHYMAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-methoxy-1-naphthyl)naphthalen-2-ol
  • 1-(2-methoxy-1-naphthyl)-2-naphthalenol
  • 1-(2-methoxy-1-naphthyl)-2-naphthol
  • 35193-70-5
  • NSC255513

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Vaccinia virus N1L Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum ATP-binding protein (ylxH-1) Get druggable targets OG5_130683 All targets in OG5_130683
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein N1L   117 aa 102 aa 25.5 %
Leishmania braziliensis phosphomevalonate kinase protein, putative N1L   117 aa 100 aa 28.0 %
Trichomonas vaginalis Maverick transposable element conserved hypothetical protein N1L   117 aa 112 aa 17.0 %
Babesia bovis phosphatidylinositol 3- and 4-kinase family protein N1L   117 aa 95 aa 26.3 %
Schistosoma mansoni family C12 unassigned peptidase (C12 family) N1L   117 aa 99 aa 21.2 %
Onchocerca volvulus N1L   117 aa 102 aa 28.4 %
Trichomonas vaginalis conserved hypothetical protein N1L   117 aa 99 aa 16.2 %
Plasmodium berghei Plasmodium exported protein, unknown function N1L   117 aa 97 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0015 0.0086
Leishmania major trypanothione reductase 0.0047 0.0189 0.9694
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0189 0.048
Entamoeba histolytica hypothetical protein 0.003 0.0083 0.0395
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0083 0.0558
Brugia malayi topoisomerase 0.003 0.0083 0.0478
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0018 0.0045
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0056 0.0264
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0056 0.024
Entamoeba histolytica hypothetical protein 0.0035 0.0116 0.0588
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0015 0.0784
Schistosoma mansoni hypothetical protein 0.0107 0.0554 0.1113
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0195 0.0495
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.025 0.025
Echinococcus multilocularis musashi 0.0027 0.0065 0.0065
Onchocerca volvulus 0.003 0.0083 0.0777
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.003 0.0083 0.4364
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Schistosoma mansoni DNA ligase IV 0.003 0.0083 0.0166
Echinococcus granulosus GPCR family 2 0.005 0.0203 0.0407
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.0747 0.4287
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0018 0.0943
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0194 0.1126
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.003 0.0083 1
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Schistosoma mansoni topbp1 0.003 0.0083 0.0166
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0015 0.0784
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0083 0.0558
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0015 0.003
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0143 0.0773 0.4429
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.1345 0.2701
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0663 0.394 1
Schistosoma mansoni tar DNA-binding protein 0.0201 0.1124 0.2257
Echinococcus granulosus tar DNA binding protein 0.0201 0.1124 0.2257
Leishmania major DNA polymerase eta, putative 0.0019 0.0018 0.0914
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4979 0.4979
Toxoplasma gondii patched family protein 0.0018 0.0011 0.0559
Brugia malayi hypothetical protein 0.0237 0.1345 0.7784
Echinococcus granulosus expressed conserved protein 0.0282 0.1617 0.3247
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0195 0.1129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0018 0.012
Brugia malayi intermediate filament protein 0.0027 0.0065 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0639
Plasmodium vivax patched family protein, putative 0.0018 0.0011 0.0559
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0163 0.0893 0.1794
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0663 0.394 1
Toxoplasma gondii ATPase, AAA family protein 0.003 0.0083 0.4365
Echinococcus granulosus geminin 0.0537 0.3174 0.6375
Brugia malayi Pax transcription activation domain interacting protein 0.003 0.0083 0.0478
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4979 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0195 0.1074
Schistosoma mansoni hypothetical protein 0.0311 0.1796 0.3606
Echinococcus multilocularis nibrin 0.003 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.0124 0.0656 0.1317
Schistosoma mansoni hypothetical protein 0.0537 0.3174 0.6375
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0018 0.0103
Chlamydia trachomatis DNA ligase 0.003 0.0083 0.6855
Brugia malayi Flap endonuclease-1 0.0026 0.0056 0.0324
Echinococcus granulosus flap endonuclease 1 0.0026 0.0056 0.0112
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.0275
Brugia malayi protein C24B5.3 0.0018 0.0011 0.0061
Schistosoma mansoni topbp1 0.003 0.0083 0.0166
Brugia malayi Patched related family protein 10 0.0018 0.0011 0.0061
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.1345 0.1345
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0065 0.0314
Schistosoma mansoni hypothetical protein 0.0124 0.0656 0.1317
Brugia malayi hypothetical protein 0.0018 0.0011 0.0061
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0018 0.0943
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0259 0.148 0.8567
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0195 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.0275
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Mycobacterium ulcerans hypothetical protein 0.0048 0.0195 0.0495
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0684 0.4623
Plasmodium falciparum replication factor C subunit 1, putative 0.003 0.0083 0.4365
Brugia malayi RNA binding protein 0.0201 0.1124 0.6505
Loa Loa (eye worm) hypothetical protein 0.0048 0.0195 0.1074
Brugia malayi hypothetical protein 0.0035 0.0116 0.0669
Echinococcus multilocularis Niemann Pick C1 protein 0.03 0.1728 0.1728
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0203 0.0203
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0163 0.0893 0.1794
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0116 0.0232
Loa Loa (eye worm) hypothetical protein 0.03 0.1728 1
Schistosoma mansoni tar DNA-binding protein 0.0201 0.1124 0.2257
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0208 0.0417
Schistosoma mansoni tar DNA-binding protein 0.0201 0.1124 0.2257
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0056 0.2958
Echinococcus multilocularis alkaline phosphatase 0.0163 0.0893 0.0893
Schistosoma mansoni intermediate filament proteins 0.0027 0.0065 0.013
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.0937 1
Onchocerca volvulus 0.0051 0.0208 0.2129
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.003 0.0083 0.0209
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0663 0.394 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0018 0.0943
Onchocerca volvulus 0.0027 0.0065 0.0583
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0163 0.0893 0.0893
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.025 0.0503
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0195 0.0495
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0992 0.6706
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.0275
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Brugia malayi DKFZp564C0469 protein 0.003 0.0083 0.0478
Plasmodium falciparum lipid/sterol:H+ symporter 0.0018 0.0011 0.0559
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.012 0.0306
Echinococcus multilocularis geminin 0.0537 0.3174 0.3174
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0305 0.1756 0.3527
Trypanosoma brucei trypanothione reductase 0.0047 0.0189 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Echinococcus granulosus alkaline phosphatase 0.0163 0.0893 0.1794
Giardia lamblia Replication factor C, subunit 1 0.003 0.0083 0.1067
Brugia malayi mbt repeat family protein 0.0051 0.0208 0.1203
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.0633 0.1428
Loa Loa (eye worm) hypothetical protein 0.0237 0.1345 0.777
Echinococcus multilocularis replication factor c subunit 1 0.003 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0027 0.0065 0.0314
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0015 0.0038
Brugia malayi TAR-binding protein 0.0201 0.1124 0.6505
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.003 0.0083 0.0395
Brugia malayi MH2 domain containing protein 0.0139 0.0747 0.4322
Schistosoma mansoni hypothetical protein 0.005 0.0203 0.0407
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0018 0.0103
Schistosoma mansoni hypothetical protein 0.0124 0.0656 0.1317
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0015 0.0784
Toxoplasma gondii hypothetical protein 0.0018 0.0011 0.0559
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0203 0.1137 0.1137
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.0747 0.4287
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0195 0.0495
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0208 0.0417
Echinococcus granulosus dna polymerase kappa 0.0019 0.0018 0.0036
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.003 0.0083 0.0478
Onchocerca volvulus 0.0052 0.0219 0.2252
Schistosoma mansoni alkaline phosphatase 0.0163 0.0893 0.1794
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0018 0.0045
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Schistosoma mansoni hypothetical protein 0.005 0.0203 0.0407
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0042
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.003
Echinococcus multilocularis tumor protein p63 0.0358 0.2082 0.2082
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0208 0.2129
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0065 0.0314
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.025 0.1449
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0639
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0018 0.0018
Brugia malayi protein C24B5.3 0.0018 0.0011 0.0061
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0018 0.0914
Brugia malayi hypothetical protein 0.0018 0.0011 0.0061
Trypanosoma cruzi FHA domain containing protein, putative 0.003 0.0083 0.4364
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Echinococcus granulosus Protein patched homolog 1 0.0129 0.0684 0.1374
Brugia malayi Patched related family protein 4 0.0018 0.0011 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0015 0.0784
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0083 0.4364
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0195 0.1052
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0639
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0208 0.0417
Echinococcus granulosus dna polymerase eta 0.0019 0.0018 0.0036
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0203 0.0407
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.0857 0.493
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0015 0.01
Schistosoma mansoni hypothetical protein 0.0085 0.0416 0.0836
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0056 0.0378
Toxoplasma gondii exonuclease III APE 0.0019 0.0015 0.0784
Schistosoma mansoni hypothetical protein 0.0124 0.0656 0.1317
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0189 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0015 0.0784
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0259 0.148 0.8558
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0018 0.012
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0639
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0143 0.0773 0.4429
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0992 0.6706
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0208 0.1148
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0203 0.0203
Treponema pallidum fructose-bisphosphate aldolase 0.0143 0.0773 0.2455
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0015 0.0192
Echinococcus multilocularis protein patched 0.0129 0.0684 0.0684
Trichomonas vaginalis replication factor C large subunit, putative 0.003 0.0083 0.0558
Toxoplasma gondii patched family protein 0.0018 0.0011 0.0559
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0065 0.0373
Loa Loa (eye worm) hypothetical protein 0.0129 0.0684 0.3923
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0189 0.038
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0015 0.076
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Entamoeba histolytica hypothetical protein 0.0035 0.0116 0.0588
Brugia malayi Patched protein homolog 1 0.0018 0.0011 0.0061
Brugia malayi RNA recognition motif domain containing protein 0.0201 0.1124 0.6505
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0195 0.0495
Schistosoma mansoni survival motor neuron protein 0.0048 0.0194 0.0391
Schistosoma mansoni hypothetical protein 0.0048 0.0194 0.0391
Brugia malayi glutathione reductase 0.0047 0.0189 0.1094
Entamoeba histolytica hypothetical protein 0.0035 0.0116 0.0588
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0201 0.1124 0.6484
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0208 0.0417
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Brugia malayi hypothetical protein 0.0018 0.0011 0.0061
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0018 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0083 0.0558
Brugia malayi Niemann-Pick C1 protein precursor 0.03 0.1728 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.03 0.1728 1
Brugia malayi hypothetical protein 0.003 0.0083 0.0478
Schistosoma mansoni hypothetical protein 0.0537 0.3174 0.6375
Brugia malayi mbt repeat family protein 0.0051 0.0208 0.1203
Toxoplasma gondii thioredoxin reductase 0.0047 0.0189 1
Toxoplasma gondii patched family protein 0.0018 0.0011 0.0559
Echinococcus granulosus sterol regulatory element binding protein 0.0129 0.0684 0.1374
Echinococcus granulosus intestinal type alkaline phosphatase 0.0163 0.0893 0.1794
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0195 0.0495
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0018 0.0036
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0015 0.0047
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0018 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0083 0.0558
Giardia lamblia Fructose-bisphosphate aldolase 0.0143 0.0773 1
Onchocerca volvulus 0.0048 0.0195 0.1992
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.003
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Loa Loa (eye worm) hypothetical protein 0.0107 0.0554 0.3166
Brugia malayi Latrophilin receptor protein 2 0.005 0.0203 0.1173
Plasmodium falciparum flap endonuclease 1 0.0026 0.0056 0.2958
Loa Loa (eye worm) hypothetical protein 0.0048 0.0195 0.1074
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.012 0.0306
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0015 0.1795
Schistosoma mansoni lamin 0.0027 0.0065 0.013
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0116 0.0232
Echinococcus multilocularis lamin dm0 0.0027 0.0065 0.0065
Brugia malayi Myosin head containing protein 0.0018 0.0011 0.0061
Echinococcus granulosus intermediate filament protein 0.0027 0.0065 0.013
Trypanosoma brucei unspecified product 0.0019 0.0018 0.0943
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.0554 0.3207
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.003 0.0083 0.0558
Brugia malayi Thioredoxin reductase 0.0047 0.0189 0.1094
Schistosoma mansoni DNA polymerase eta 0.0019 0.0018 0.0036
Loa Loa (eye worm) hypothetical protein 0.0052 0.0219 0.1215
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Loa Loa (eye worm) MBCTL1 0.0058 0.025 0.1397
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0203 0.1118
Echinococcus multilocularis protein dispatched 1 0.0147 0.0795 0.0795
Schistosoma mansoni alkaline phosphatase 0.0163 0.0893 0.1794
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0083 0.0558
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0083 0.4364
Loa Loa (eye worm) hypothetical protein 0.0058 0.025 0.1397
Schistosoma mansoni lamin 0.0027 0.0065 0.013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.056 0.1237
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.003 0.0083 0.0558
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.056 0.1421
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0056 0.0723
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.0857 0.4961
Plasmodium vivax glutathione reductase, putative 0.0047 0.0189 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0056 0.2867
Schistosoma mansoni tar DNA-binding protein 0.0201 0.1124 0.2257
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Echinococcus multilocularis expressed conserved protein 0.0282 0.1617 0.1617
Giardia lamblia DINP protein human, muc B family 0.0019 0.0018 0.023
Loa Loa (eye worm) TAR-binding protein 0.0201 0.1124 0.6484
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0163 0.0893 0.0893
Loa Loa (eye worm) hypothetical protein 0.0027 0.0062 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0083 0.4364
Echinococcus granulosus Niemann Pick C1 protein 0.03 0.1728 0.347
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.0275
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.003 0.0083 0.0558
Schistosoma mansoni hypothetical protein 0.005 0.0203 0.0407
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4979 1
Schistosoma mansoni chromosome transmission fidelity factor 0.003 0.0083 0.0166
Echinococcus multilocularis lamin 0.0027 0.0065 0.0065
Onchocerca volvulus 0.0027 0.0065 0.0583
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0195 0.1052
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Loa Loa (eye worm) hypothetical protein 0.005 0.0203 0.1118
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0208 0.0208
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.025 0.0503
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.012 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0163 0.0893 0.0893
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0018 0.0943
Echinococcus multilocularis GPCR, family 2 0.005 0.0203 0.0203
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0018 0.0045
Schistosoma mansoni patched 1 0.0129 0.0684 0.1374
Echinococcus granulosus replication factor c subunit 1 0.003 0.0083 0.0166
Echinococcus multilocularis sterol regulatory element binding protein 0.0129 0.0684 0.0684
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.012 0.6367
Loa Loa (eye worm) RNA binding protein 0.0201 0.1124 0.6484
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0189 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0203 0.0407
Schistosoma mansoni hypothetical protein 0.0035 0.0116 0.0232
Entamoeba histolytica hypothetical protein 0.0035 0.0116 0.0588
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0143 0.0773 0.5226
Loa Loa (eye worm) hypothetical protein 0.0051 0.0208 0.1148
Loa Loa (eye worm) hypothetical protein 0.0157 0.0857 0.493
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0018 0.0036
Loa Loa (eye worm) glutathione reductase 0.0047 0.0189 0.104
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0195 0.1129
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0018 0.0943
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0018 0.0018
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0195 0.0495
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0195 0.0495
Treponema pallidum DNA ligase (lig) 0.003 0.0083 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0083 0.0558
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.0857 0.4961
Brugia malayi hypothetical protein 0.0018 0.0011 0.0061
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.0633 0.1607
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0116 0.0116
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0208 0.0417
Loa Loa (eye worm) hypothetical protein 0.0158 0.0861 0.4951
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0018 0.0045
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.003 0.0083 0.4364
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0195 0.0292
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0015 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.012 0.0639
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0195 0.1129
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0633 0.1607
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.056 0.1421
Echinococcus multilocularis tar DNA binding protein 0.0201 0.1124 0.1124
Brugia malayi CHE-14 protein 0.0129 0.0684 0.396
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0015 0.0038
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0129 0.0684 0.3923
Echinococcus granulosus tumor protein p63 0.0358 0.2082 0.4181
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0056 0.2958
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.056 0.1421
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.148 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0018 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Echinococcus granulosus nibrin 0.003 0.0083 0.0166
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Echinococcus granulosus Niemann Pick C1 protein 0.0429 0.2512 0.5045
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0195 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0189 1
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0056 0.0056
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0015 0.01
Brugia malayi Patched related family protein 12 0.0018 0.0011 0.0061
Plasmodium falciparum glutathione reductase 0.0047 0.0189 1
Mycobacterium tuberculosis Probable reductase 0.0108 0.056 0.1421
Toxoplasma gondii patched family protein 0.0018 0.0011 0.0559
Echinococcus granulosus lamin 0.0027 0.0065 0.013
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0056 0.2958
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.0937 0.6328
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0195 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0195 0.0495
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.012 0.6367
Brugia malayi hypothetical protein 0.003 0.0083 0.0478
Loa Loa (eye worm) hypothetical protein 0.003 0.0083 0.0419
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0203 0.1173
Treponema pallidum ATP-binding protein (ylxH-1) 0.0533 0.315 1
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0219 0.044
Plasmodium vivax replication factor C subunit 1, putative 0.003 0.0083 0.4365
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0195 0.0292
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.056 0.1421
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0056 0.2958
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0195 0.0495
Schistosoma mansoni hypothetical protein 0.005 0.0203 0.0407
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.025 0.0503
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.0633 0.1607
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0203 0.1137 0.2283
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0018 0.0943
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0018 0.0036
Echinococcus granulosus lamin dm0 0.0027 0.0065 0.013
Leishmania major DNA polymerase kappa, putative 0.0019 0.0018 0.0914
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.056 0.1421
Schistosoma mansoni tar DNA-binding protein 0.0201 0.1124 0.2257
Brugia malayi Patched family protein 0.0018 0.0011 0.0061
Onchocerca volvulus 0.0048 0.0194 0.1986
Echinococcus multilocularis Niemann Pick C1 protein 0.0429 0.2512 0.2512
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.025 0.025
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0195 0.1052
Schistosoma mansoni flap endonuclease-1 0.0023 0.0041 0.0082
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0189 0.104

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 uM Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay ChEMBL. 20441222
IC50 (binding) = 1.5 uM Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay ChEMBL. 20441222
IC50 (binding) = 3.6 uM Displacement of FITC-conjugated BH3-Bak peptide from 1 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay ChEMBL. 20441222

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

No literature references available for this target.

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