Detailed information for compound 44874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.366 | Formula: C18H13NO2S
  • H donors: 0 H acceptors: 2 LogP: 3.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(c2ccccc2)[S+]([O-])c2c(n3c1ccc3)cccc2
  • InChi: 1S/C18H13NO2S/c20-17-15-10-6-12-19(15)14-9-4-5-11-16(14)22(21)18(17)13-7-2-1-3-8-13/h1-12,18H
  • InChiKey: UIJBXPGAWJVYKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peripheral-type benzodiazepine receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus multilocularis translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Mycobacterium ulcerans tryptophan-rich sensory protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Schistosoma mansoni peripheral-type benzodiazepine receptor Get druggable targets OG5_129542 All targets in OG5_129542
Brugia malayi TspO/MBR family protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus granulosus translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus vacuolar h atpase Peripheral-type benzodiazepine receptor   169 aa 137 aa 25.5 %
Onchocerca volvulus Peripheral-type benzodiazepine receptor   169 aa 156 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitochondrial DNA polymerase beta 0.0325 0.0448 0.1644
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0021 0.0517
Trichomonas vaginalis ap endonuclease, putative 0.002 0.002 0.0498
Leishmania major importin beta-1 subunit, putative 0.0025 0.0027 0.0099
Toxoplasma gondii exonuclease III APE 0.002 0.002 0.0074
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0322 0.0444 0.9714
Schistosoma mansoni hypothetical protein 0.0006 0.0001 0.001
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0016 0.0256
Toxoplasma gondii hypothetical protein 0.0052 0.0065 0.024
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0154 0.0208 0.0759
Echinococcus multilocularis smad 0.0009 0.0004 0.0066
Echinococcus granulosus Helicase SANT associated DNA binding 0.0006 0.0001 0.001
Toxoplasma gondii RNA-directed DNA polymerase 0.1946 0.2725 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.0115
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0016 0.0057
Brugia malayi Telomerase reverse transcriptase 0.5179 0.7266 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0056 0.0202
Loa Loa (eye worm) CXXC zinc finger family protein 0.0067 0.0086 0.1878
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0021 0.0074
Schistosoma mansoni DNA polymerase eta 0.0021 0.0021 0.0343
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.001
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0.0001 0.0003
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0021 0.0343
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0021 0.0077
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0027 0.0669
Echinococcus granulosus dna polymerase kappa 0.0021 0.0021 0.0343
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0001 0.0003
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0007 0.0115
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0021 0.0022 0.0079
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.0115
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0004 0.0089
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0004 0.0066
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0046 0.0756
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0021 0.0517
Leishmania major modification methylase-like protein 0.0021 0.0022 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0007 0.0115
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0016 0.0057
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0016 0.0057
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0021 0.0077
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0016 0.0057
Schistosoma mansoni flap endonuclease-1 0.0025 0.0027 0.0448
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0031 0.0114
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0007 0.0115
Trichomonas vaginalis ap endonuclease, putative 0.002 0.002 0.0498
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0001 0.0003
Brugia malayi glutaminase DH11.1 0.0294 0.0405 0.0557
Trichomonas vaginalis helicase, putative 0.0007 0.0002 0.0039
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0031 0.0114
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0035 0.013
Schistosoma mansoni helicase 0.0072 0.0093 0.1529
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0154 0.0208 0.0762
Giardia lamblia DNA repair protein RAD52 0.0374 0.0517 0.1895
Onchocerca volvulus 0.0322 0.0444 0.0443
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0007 0.0115
Plasmodium falciparum flap endonuclease 1 0.0028 0.0031 0.0114
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0001 0.0003
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0031 0.0602
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0016 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0021
Entamoeba histolytica hypothetical protein 0.0039 0.0046 0.0892
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0084 0.1374
Trypanosoma brucei unspecified product 0.0014 0.0012 0.0044
Echinococcus granulosus Smad4 0.0009 0.0004 0.0066
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0009 0.0013
Brugia malayi BRM protein 0.0072 0.0093 0.0128
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0016 0.0057
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.0115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0042
Brugia malayi TspO/MBR family protein 0.0322 0.0444 0.0611
Giardia lamblia DINP protein human, muc B family 0.0021 0.0021 0.0074
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.002 0.0074
Brugia malayi Disco-interacting protein 2 homolog 0.0041 0.005 0.0069
Loa Loa (eye worm) glutaminase 2 0.0294 0.0405 0.886
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Mycobacterium ulcerans glutaminase 0.0294 0.0405 0.912
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.002 0.0071
Echinococcus granulosus muscleblind protein 0.0161 0.0217 0.3566
Schistosoma mansoni cpg binding protein 0.0069 0.0088 0.1447
Entamoeba histolytica hypothetical protein 0.0039 0.0046 0.0892
Schistosoma mansoni hypothetical protein 0.0182 0.0248 0.4064
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0091 0.012 0.0439
Schistosoma mansoni cpg binding protein 0.0067 0.0086 0.1407
Loa Loa (eye worm) BRM protein 0.0037 0.0044 0.0968
Echinococcus multilocularis polybromo 1 0.0007 0.0001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.0458
Echinococcus multilocularis muscleblind protein 0.0161 0.0217 0.3566
Plasmodium vivax helicase, putative 0.0006 0.0001 0.0002
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.007 0.0254
Schistosoma mansoni hypothetical protein 0.0013 0.0009 0.0153
Echinococcus granulosus cpg binding protein 0.0069 0.0088 0.1447
Echinococcus granulosus snurportin 1 0.0331 0.0457 0.7492
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.002 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0012 0.0044
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0021 0.0454
Echinococcus multilocularis BRK domain 0.0013 0.0009 0.0153
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Echinococcus granulosus polybromo 1 0.0007 0.0001 0.0019
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0007 0.0006
Brugia malayi RNA, U transporter 1 0.0088 0.0116 0.0159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1946 0.2725 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus granulosus helicase 0.0006 0.0001 0.001
Loa Loa (eye worm) hypothetical protein 0.0031 0.0035 0.0773
Brugia malayi CXXC zinc finger family protein 0.0067 0.0086 0.0118
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0007 0.0115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0005 0.0085
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0154 0.0208 0.0762
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0016 0.0256
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0006
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0046 0.0756
Schistosoma mansoni smad 0.0009 0.0004 0.0066
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0021 0.0077
Echinococcus multilocularis translocator protein 0.0322 0.0444 0.7278
Plasmodium vivax hypothetical protein, conserved 0.0006 0.0001 0.0002
Plasmodium vivax telomerase reverse transcriptase, putative 0.1946 0.2725 1
Trypanosoma brucei unspecified product 0.0014 0.0012 0.0044
Toxoplasma gondii DNA methyltransferase 2, putative 0.0021 0.0022 0.0079
Brugia malayi MH2 domain containing protein 0.0128 0.0172 0.0237
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0021 0.0244
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Echinococcus granulosus BRK domain containing protein 0.0013 0.0009 0.0153
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0021 0.0077
Toxoplasma gondii hypothetical protein 0.0091 0.012 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0325 0.0448 0.1642
Schistosoma mansoni hypothetical protein 0.0014 0.0012 0.0193
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0007 0.0115
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0031 0.051
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0005 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0021 0.0074
Schistosoma mansoni hypothetical protein 0.044 0.061 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0016 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Loa Loa (eye worm) helicase DNA-binding protein 0.0013 0.0009 0.0204
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.002 0.0442
Echinococcus multilocularis Smad4 0.0009 0.0004 0.0066
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0021 0.0022 0.0079
Loa Loa (eye worm) Smad1 0.0009 0.0004 0.0089
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0172 0.3768
Trichomonas vaginalis lymphoid specific helicase, putative 0.0013 0.001 0.0253
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Echinococcus granulosus dna polymerase eta 0.0021 0.0021 0.0343
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0007 0.0006
Brugia malayi Smad1 0.0009 0.0004 0.0006
Onchocerca volvulus 0.0011 0.0007 0.0006
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0021 0.0405
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1946 0.2725 1
Entamoeba histolytica hypothetical protein 0.0039 0.0046 0.0892
Schistosoma mansoni helicase 0.0006 0.0001 0.001
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0016 0.0057
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0331 0.0457 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Brugia malayi polybromodomain protein 0.0007 0.0001 0.0002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0027 0.0669
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0106 0.0141 0.2731
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0007 0.0115
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0031 0.0114
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0016 0.0256
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0035 0.0579
Loa Loa (eye worm) BRM protein 0.0046 0.0057 0.1238
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0172 0.3768
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Entamoeba histolytica hypothetical protein 0.0039 0.0046 0.0892
Leishmania major DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0161 0.0217 0.476
Plasmodium falciparum telomerase reverse transcriptase 0.1946 0.2725 1
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0001 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.001
Onchocerca volvulus 0.0322 0.0444 0.0443
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0007 0.001
Trichomonas vaginalis glutaminase, putative 0.0294 0.0405 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0325 0.0448 0.1642
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0056 0.0202
Brugia malayi isocitrate dehydrogenase 0.0017 0.0016 0.0022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.0154
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0021 0.0022 0.0354
Echinococcus granulosus dnaJ subfamily B 0.044 0.061 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0041 0.005 0.0819
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0021 0.0343
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Brugia malayi Muscleblind-like protein 0.0161 0.0217 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Onchocerca volvulus 0.0067 0.0086 0.0085
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0016 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.001
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0035 0.013
Leishmania major DNA polymerase kappa, putative 0.0006 0.0001 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.001
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0021 0.0458
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.0115
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Echinococcus multilocularis global transcription activator snf2l2 0.0072 0.0093 0.1529
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0013 0.0009 0.0153
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0016 0.0342
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0021 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0007 0.001
Schistosoma mansoni polybromo-1 0.0007 0.0001 0.0019
Echinococcus granulosus importin subunit beta 1 0.0031 0.0035 0.0579
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.001
Echinococcus granulosus flap endonuclease 1 0.0028 0.0031 0.051
Schistosoma mansoni coup transcription factor 0.0011 0.0007 0.0115
Echinococcus granulosus disco interacting protein 2 0.0041 0.005 0.0819
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0021 0.0022 0.0354
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0021 0.0454
Leishmania major DNA polymerase eta, putative 0.0021 0.0021 0.0077
Entamoeba histolytica hypothetical protein 0.0106 0.0141 0.2731
Onchocerca volvulus 0.0041 0.005 0.0049
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0007 0.0115
Loa Loa (eye worm) histone methyltransferase 0.001 0.0005 0.0113
Mycobacterium ulcerans hypothetical protein 0.0171 0.0232 0.5222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.0154
Schistosoma mansoni glutaminase 0.0294 0.0405 0.6638
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0003 0.0042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.001
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0021 0.0022 0.0079
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0021 0.0077
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0021 0.0022 0.0079
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0007 0.0115
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0056 0.0202
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0154
Plasmodium vivax importin-beta 2, putative 0.0031 0.0035 0.013
Loa Loa (eye worm) hypothetical protein 0.0322 0.0444 0.9714
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.002 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0012 0.0044
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0021 0.0343
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.002 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.0154
Brugia malayi Flap endonuclease-1 0.0028 0.0031 0.0043
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0003 0.0042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0016 0.0256
Schistosoma mansoni hypothetical protein 0.0331 0.0457 0.7492
Plasmodium falciparum Snf2-related CBP activator, putative 0.0006 0.0001 0.0002
Schistosoma mansoni importin beta-1 0.0031 0.0035 0.0579
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0325 0.0448 0.1644
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.001
Loa Loa (eye worm) glutaminase 0.0294 0.0405 0.886
Schistosoma mansoni hypothetical protein 0.0182 0.0248 0.4064
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0007 0.001
Schistosoma mansoni hypothetical protein 0.0039 0.0046 0.0756
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0322 0.0444 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0007 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0021 0.0074
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0031 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.001
Leishmania major telomerase reverse transcriptase, putative 0.1946 0.2725 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0007 0.0115
Trypanosoma brucei telomerase reverse transcriptase 0.1946 0.2725 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Schistosoma mansoni ap endonuclease 0.002 0.002 0.0331
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.002 0.0071
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0013 0.001 0.0038
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0025
Echinococcus granulosus smad 0.0009 0.0004 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0031 0.0681
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0016 0.0256
Echinococcus multilocularis snurportin 1 0.0331 0.0457 0.7492
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.002 0.0437
Loa Loa (eye worm) hypothetical protein 0.0161 0.0217 0.476
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0001 0.0003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0042
Brugia malayi ecdysteroid receptor 0.0011 0.0007 0.001
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0021 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0012 0.0044
Brugia malayi hypothetical protein 0.013 0.0174 0.024
Echinococcus granulosus translocator protein 0.0322 0.0444 0.7278
Echinococcus multilocularis cpg binding protein 0.0069 0.0088 0.1447
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0005 0.0085
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0007 0.0154
Echinococcus multilocularis disco interacting protein 2 0.0041 0.005 0.0819
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0004 0.0066
Brugia malayi steroid hormone receptor 0.0011 0.0007 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0006 0.0001 0.0018
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0009 0.0153
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0006
Onchocerca volvulus 0.0322 0.0444 0.0443
Echinococcus multilocularis Chromo domain 0.0013 0.0009 0.0153
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0322 0.0444 0.9714
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0031 0.0768
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.0039
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.002 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0115
Schistosoma mansoni Smad4 0.0009 0.0004 0.0066
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0.0001 0.0003
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0007 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0046 0.0756
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.002 0.0331
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0027 0.0669
Plasmodium vivax DEAD/DEAH helicase, putative 0.0011 0.0008 0.0028
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.002 0.039
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.001
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.0232 1
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0011 0.0008 0.0028
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0007 0.0154
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0007 0.0115
Brugia malayi SNF2 family N-terminal domain containing protein 0.0006 0.0001 0.0001
Brugia malayi nuclear hormone receptor 0.0011 0.0007 0.001
Echinococcus multilocularis geminin 0.0182 0.0248 0.4064
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0021 0.0022 0.0418
Schistosoma mansoni cpg binding protein 0.0069 0.0088 0.1447
Plasmodium falciparum importin beta, putative 0.0031 0.0035 0.013
Schistosoma mansoni ap endonuclease 0.002 0.002 0.0331
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.0011 0.0008 0.0028
Brugia malayi Importin beta-1 subunit 0.0031 0.0035 0.0049
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Brugia malayi polk-prov protein 0.0006 0.0001 0.0001
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.002 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.0154
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.002 0.0074
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0001 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.0154
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0322 0.0444 0.7278
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0007 0.0115
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0066
Brugia malayi hypothetical protein 0.0039 0.0046 0.0063
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0001 0.0013
Trypanosoma brucei unspecified product 0.0021 0.0021 0.0077
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0006
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0004 0.0066
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0004 0.0066
Giardia lamblia Telomerase catalytic subunit 0.1946 0.2725 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Echinococcus multilocularis dna polymerase eta 0.0021 0.0021 0.0343
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0007 0.0115
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0003 0.0042
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0016 0.0022
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0004 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0002 0.0039
Loa Loa (eye worm) hypothetical protein 0.0322 0.0444 0.9714
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0007 0.001
Loa Loa (eye worm) SNF2 family domain-containing protein 0.0006 0.0001 0.0013
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0007 0.0115
Leishmania major DNA polymerase eta, putative 0.0006 0.0001 0.0003
Echinococcus granulosus geminin 0.0182 0.0248 0.4064
Echinococcus multilocularis muscleblind protein 1 0.0161 0.0217 0.3566
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0035 0.013
Echinococcus multilocularis Helicase SANT associated, DNA binding 0.0006 0.0001 0.001
Loa Loa (eye worm) hypothetical protein 0.0041 0.005 0.1094
Echinococcus multilocularis dnaJ subfamily B 0.044 0.061 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Onchocerca volvulus 0.0322 0.0444 0.0443
Echinococcus granulosus Chromo domain 0.0013 0.0009 0.0153
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0007 0.0115
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0027 0.0096
Schistosoma mansoni helicase 0.0006 0.0001 0.001
Echinococcus granulosus global transcription activator snf2l2 0.0072 0.0093 0.1529
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.002 0.0071
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0056 0.0205
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0006
Brugia malayi SET domain containing protein 0.0007 0.0002 0.0003
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0001 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Echinococcus granulosus DNA methyltransferase 2, putative 0.0021 0.0022 0.0354
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0002 0.0039
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0001 0.0003
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.002 0.0331
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.002 0.021
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.0115
Echinococcus multilocularis helicase 0.0006 0.0001 0.001
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0002 0.0039
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0021 0.0343
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0021 0.0244
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0031 0.0111
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0007 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0021 0.0074
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0021 0.0343
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0007 0.0115
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0077 0.0281
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0031 0.0111
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0016 0.0054
Entamoeba histolytica hypothetical protein 0.0025 0.0027 0.0524
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0021 0.0077
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0004 0.0066
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0374 0.0517 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0021 0.0074
Brugia malayi nuclear receptor NHR-88 0.0011 0.0007 0.001
Leishmania major DNA damage repair protein, putative 0.0006 0.0001 0.0003

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -4.83 Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor ChEMBL. 7990110
IC50 (binding) = 14700 nM Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptor ChEMBL. 8182701
IC50 (binding) = 14700 nM Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptor ChEMBL. 8182701
Log IC50 (binding) = 4.83 Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor ChEMBL. 7990110

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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