Detailed information for compound 1371803

Basic information

Technical information
  • TDR Targets ID: 1371803
  • Name: N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyr imidin-2-yl)sulfanylacetohydrazide
  • MW: 377.441 | Formula: C15H15N5O3S2
  • H donors: 2 H acceptors: 6 LogP: 1.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)S(=O)(=O)NNC(=O)CSc1nc(C)cc(n1)C
  • InChi: 1S/C15H15N5O3S2/c1-10-7-11(2)18-15(17-10)24-9-14(21)19-20-25(22,23)13-5-3-12(8-16)4-6-13/h3-7,20H,9H2,1-2H3,(H,19,21)
  • InChiKey: AYQHCULPAIPNDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetohydrazide
  • N'-(4-cyanophenyl)sulfonyl-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetohydrazide
  • N'-(4-cyanophenyl)sulfonyl-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetohydrazide
  • N'-(4-cyanophenyl)sulfonyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanehydrazide
  • ZINC07986836
  • T5523719

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0206 0.0299
Schistosoma mansoni cytochrome P450 reductase 0.0257 0.6896 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0689 0.0689
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0257 0.6896 1
Leishmania major DNA polymerase kappa, putative 0.0072 0.1296 0.1296
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0257 0.6896 0.6896
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Treponema pallidum flavodoxin 0.0098 0.2092 1
Schistosoma mansoni hypothetical protein 0.0205 0.5307 0.7696
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0098 0.2092 0.2092
Plasmodium falciparum nitric oxide synthase, putative 0.0257 0.6896 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0257 0.6896 0.6896
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0694 0.0694
Chlamydia trachomatis sulfite reductase 0.0159 0.392 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0098 0.2092 0.2491
Trypanosoma brucei DNA polymerase eta, putative 0.0095 0.1985 0.1985
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0257 0.6896 0.6896
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0206 0.0299
Loa Loa (eye worm) hypothetical protein 0.0034 0.013 0.013
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0098 0.2092 0.2092
Loa Loa (eye worm) FAD binding domain-containing protein 0.0159 0.392 0.392
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0096 0.2026 0.2405
Trypanosoma cruzi p450 reductase, putative 0.0257 0.6896 0.6896
Trichomonas vaginalis sulfite reductase, putative 0.0257 0.6896 0.8844
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0257 0.6896 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0098 0.2092 0.2491
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Toxoplasma gondii flavodoxin domain-containing protein 0.0128 0.2976 1
Leishmania major C-8 sterol isomerase-like protein 0.036 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0098 0.2092 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0095 0.1985 0.1985
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0228 0.6012 0.7674
Trypanosoma brucei unspecified product 0.0044 0.0453 0.0453
Echinococcus multilocularis geminin 0.0205 0.5307 0.7696
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Loa Loa (eye worm) flavodoxin family protein 0.0098 0.2092 0.2092
Entamoeba histolytica type A flavoprotein, putative 0.0098 0.2092 1
Trypanosoma brucei unspecified product 0.0088 0.1785 0.1785
Mycobacterium ulcerans DNA polymerase IV 0.0096 0.2026 0.2938
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0206 0.0693
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0206 0.0299
Trypanosoma brucei DNA polymerase IV, putative 0.0088 0.1785 0.1785
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0648 0.0648
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.1296 0.1296
Plasmodium vivax hypothetical protein, conserved 0.0098 0.2092 0.3033
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.1055 0.814
Toxoplasma gondii flavodoxin domain-containing protein 0.0128 0.2976 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0257 0.6896 1
Leishmania major DNA polymerase eta, putative 0.0095 0.1985 0.1985
Brugia malayi Pre-SET motif family protein 0.0251 0.672 0.672
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0051 0.0648 0.2178
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0206 0.0299
Echinococcus multilocularis dna polymerase eta 0.0095 0.1985 0.2879
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0098 0.2092 0.2092
Brugia malayi FAD binding domain containing protein 0.0159 0.392 0.392
Mycobacterium ulcerans DNA polymerase IV 0.0096 0.2026 0.2938
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Brugia malayi ImpB/MucB/SamB family protein 0.0095 0.1985 0.1985
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0098 0.2092 0.2092
Echinococcus granulosus methionine synthase reductase 0.0159 0.392 0.5684
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0159 0.392 0.5684
Trypanosoma cruzi C-8 sterol isomerase, putative 0.036 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0257 0.6896 0.6896
Echinococcus granulosus dna polymerase kappa 0.0096 0.2026 0.2938
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0257 0.6896 0.6896
Loa Loa (eye worm) hypothetical protein 0.0184 0.4679 0.4679
Brugia malayi flavodoxin family protein 0.0098 0.2092 0.2092
Loa Loa (eye worm) hypothetical protein 0.036 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0285 0.0413
Entamoeba histolytica type A flavoprotein, putative 0.0098 0.2092 1
Entamoeba histolytica type A flavoprotein, putative 0.0098 0.2092 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0072 0.1296 1
Schistosoma mansoni DNA polymerase eta 0.0095 0.1985 0.2879
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Brugia malayi FAD binding domain containing protein 0.0257 0.6896 0.6896
Leishmania major cytochrome P450 reductase, putative 0.0228 0.6012 0.6012
Trypanosoma brucei unspecified product 0.0044 0.0453 0.0453
Echinococcus multilocularis methionine synthase reductase 0.0159 0.392 0.5684
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0257 0.6896 1
Giardia lamblia Hypothetical protein 0.0228 0.6012 1
Onchocerca volvulus 0.0286 0.7771 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0064 0.1055 0.1529
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0257 0.6896 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0392 0.0569
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0689 0.0689
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0166 0.0241
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0285 0.0413
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0392 0.0569
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0098 0.2092 0.2491
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0098 0.2092 0.3033
Trichomonas vaginalis DNA polymerase eta, putative 0.0096 0.2026 0.2405
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0064 0.1055 0.1529
Trypanosoma brucei DNA polymerase IV, putative 0.0096 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0095 0.1985 0.1985
Giardia lamblia Nitric oxide synthase, inducible 0.0228 0.6012 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0072 0.1296 0.1296
Leishmania major p450 reductase, putative 0.0257 0.6896 0.6896
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0257 0.6896 0.6896
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0257 0.6896 0.6896
Loa Loa (eye worm) hypothetical protein 0.0257 0.6896 0.6896
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Trypanosoma brucei DNA polymerase IV, putative 0.0096 0.2026 0.2026
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7771 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0098 0.2092 0.2491
Schistosoma mansoni diflavin oxidoreductase 0.0128 0.2976 0.4316
Brugia malayi flavodoxin family protein 0.0257 0.6896 0.6896
Plasmodium vivax SET domain protein, putative 0.0036 0.0206 0.0299
Schistosoma mansoni terminal deoxycytidyl transferase 0.0064 0.1055 0.1529
Giardia lamblia DINP protein human, muc B family 0.0072 0.1296 0.2155
Schistosoma mansoni NADPH flavin oxidoreductase 0.013 0.3035 0.4402
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0285 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0694 0.0694
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0257 0.6896 1
Schistosoma mansoni hypothetical protein 0.0205 0.5307 0.7696
Trypanosoma brucei C-8 sterol isomerase, putative 0.036 1 1
Leishmania major DNA polymerase eta, putative 0.0051 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0052 0.0689 0.0689
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0257 0.6896 0.6896
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0064 0.1055 0.1529
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0694 0.0694
Echinococcus granulosus geminin 0.0205 0.5307 0.7696
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.672 0.672
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0285 0.0285
Brugia malayi polk-prov protein 0.0052 0.0689 0.0689
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.1055 0.1055
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0098 0.2092 0.3033
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.2026 0.2026
Entamoeba histolytica type A flavoprotein, putative 0.0098 0.2092 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.0206
Onchocerca volvulus 0.0036 0.0206 0.0265
Echinococcus granulosus dna polymerase eta 0.0095 0.1985 0.2879
Loa Loa (eye worm) FAD binding domain-containing protein 0.0257 0.6896 0.6896
Echinococcus multilocularis dna polymerase kappa 0.0096 0.2026 0.2938
Leishmania major hypothetical protein, conserved 0.0098 0.2092 0.2092
Plasmodium vivax flavodoxin domain containing protein 0.0228 0.6012 0.8717
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0064 0.1055 0.1055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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