Detailed information for compound 44633

Basic information

Technical information
  • TDR Targets ID: 44633
  • Name: 6,6-dimethyl-1-(4-methylsulfonylphenyl)-1,3,5 -triazine-2,4-diamine
  • MW: 295.361 | Formula: C12H17N5O2S
  • H donors: 2 H acceptors: 2 LogP: -0.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(N(C(=N1)N)c1ccc(cc1)S(=O)(=O)C)(C)C
  • InChi: 1S/C12H17N5O2S/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(7-5-8)20(3,18)19/h4-7H,1-3H3,(H4,13,14,15,16)
  • InChiKey: MEVVNEHVNWBNIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-amino-1-(4-mesylphenyl)-6,6-dimethyl-s-triazin-2-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Gallus gallus Dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   189 aa 180 aa 34.4 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   189 aa 212 aa 29.2 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 172 aa 34.3 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   189 aa 209 aa 28.7 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 172 aa 34.3 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 154 aa 33.8 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 185 aa 35.7 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 201 aa 29.4 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 172 aa 34.3 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   189 aa 209 aa 28.2 %
Echinococcus multilocularis EF hand calcium binding domain containing protein Dihydrofolate reductase   189 aa 155 aa 22.6 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 172 aa 33.1 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   189 aa 189 aa 31.7 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   189 aa 172 aa 33.7 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   189 aa 194 aa 31.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0001 0.0004
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0025 0.0343
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Schistosoma mansoni hypothetical protein 0.0196 0.0293 0.4064
Brugia malayi Importin beta-1 subunit 0.0033 0.0042 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0018 0.0068
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0025 0.0034
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0008 0.0115
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0032 0.0114
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0037 0.0768
Brugia malayi MH2 domain containing protein 0.0138 0.0203 0.028
Echinococcus granulosus dihydrofolate reductase 0.0208 0.031 0.4303
Giardia lamblia DNA repair protein RAD52 0.0403 0.0611 0.224
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0079 0.0113 0.0413
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0773
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Echinococcus multilocularis disco interacting protein 2 0.0045 0.0059 0.0819
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0005 0.0066
Schistosoma mansoni ap endonuclease 0.0022 0.0024 0.0331
Echinococcus granulosus dna polymerase eta 0.0022 0.0025 0.0343
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0018 0.0068
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0018 0.0342
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0008 0.0154
Echinococcus multilocularis geminin 0.0196 0.0293 0.4064
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.0245 0.0898
Schistosoma mansoni hypothetical protein 0.0196 0.0293 0.4064
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0008 0.0115
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0025 0.0343
Onchocerca volvulus 0.0045 0.0059 0.0058
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0024 0.0088
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0008 0.0115
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.0113 0.0413
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0024 0.0498
Brugia malayi hypothetical protein 0.0042 0.0054 0.0075
Echinococcus granulosus cpg binding protein 0.0074 0.0104 0.1447
Schistosoma mansoni cpg binding protein 0.0074 0.0104 0.1447
Entamoeba histolytica hypothetical protein 0.0042 0.0054 0.0892
Mycobacterium ulcerans hypothetical protein 0.0184 0.0274 0.5726
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Entamoeba histolytica hypothetical protein 0.0042 0.0054 0.0892
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Onchocerca volvulus 0.0072 0.0101 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0051
Entamoeba histolytica Flap nuclease, putative 0.003 0.0037 0.0602
Schistosoma mansoni hypothetical protein 0.0007 0.0001 0.001
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0037 0.0131
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0008 0.0115
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0018 0.0068
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0008 0.0154
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0018 0.0256
Brugia malayi SET domain containing protein 0.0008 0.0002 0.0003
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0008 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0008 0.0115
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0208 0.031 0.6475
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0024 0.0331
Loa Loa (eye worm) Smad1 0.0009 0.0005 0.0089
Echinococcus multilocularis global transcription activator snf2l2 0.0078 0.011 0.1529
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0008 0.0115
Loa Loa (eye worm) glutaminase 2 0.0317 0.0478 0.886
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0008 0.0011
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0025 0.0343
Schistosoma mansoni smad 0.0009 0.0005 0.0066
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0091 0.0332
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0203 0.3768
Leishmania major DNA damage repair protein, putative 0.0007 0.0001 0.0004
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0018 0.0025
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0023 0.0026 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0025 0.0498
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.035 0.0529 0.194
Brugia malayi Flap endonuclease-1 0.003 0.0037 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0032 0.0669
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0008 0.0011
Plasmodium vivax hypothetical protein, conserved 0.0007 0.0001 0.0003
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0011 0.0015
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0008 0.0154
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0025 0.0214
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0025 0.0517
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0001 0.0004
Schistosoma mansoni smad1 5 8 and 0.0009 0.0005 0.0066
Leishmania major modification methylase-like protein 0.0023 0.0026 0.0094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0008 0.0115
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0018 0.0064
Brugia malayi CXXC zinc finger family protein 0.0072 0.0101 0.0139
Brugia malayi Telomerase reverse transcriptase 0.4723 0.7266 1
Loa Loa (eye worm) BRM protein 0.005 0.0067 0.1238
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0008 0.0115
Echinococcus multilocularis polybromo 1 0.0007 0.0001 0.0019
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0005 0.0066
Leishmania major telomerase reverse transcriptase, putative 0.1775 0.2724 1
Echinococcus multilocularis BRK domain 0.0013 0.0011 0.0153
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0024 0.0084
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0091
Toxoplasma gondii hypothetical protein 0.0056 0.0077 0.0283
Echinococcus multilocularis muscleblind protein 1 0.0173 0.0257 0.3566
Trypanosoma brucei unspecified product 0.0015 0.0014 0.0051
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0005 0.0089
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Trypanosoma brucei unspecified product 0.0022 0.0025 0.0091
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0098 0.0141 0.0519
Loa Loa (eye worm) hypothetical protein 0.0045 0.0059 0.1094
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0024 0.0088
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0054 0.0756
Schistosoma mansoni dihydrofolate reductase 0.0208 0.031 0.4303
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0208 0.031 1
Brugia malayi steroid hormone receptor 0.0012 0.0008 0.0011
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1775 0.2724 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0008 0.0154
Echinococcus granulosus Helicase SANT associated DNA binding 0.0007 0.0001 0.001
Loa Loa (eye worm) hypothetical protein 0.0022 0.0025 0.0458
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 0.054 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0079 0.0113 0.0413
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0032 0.0669
Echinococcus multilocularis helicase 0.0007 0.0001 0.001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0018 0.0256
Schistosoma mansoni importin beta-1 0.0033 0.0042 0.0579
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0008 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0008 0.0154
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0001 0.0013
Echinococcus granulosus importin subunit beta 1 0.0033 0.0042 0.0579
Schistosoma mansoni flap endonuclease-1 0.0027 0.0032 0.0448
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0008 0.0115
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0018 0.0256
Echinococcus multilocularis cpg binding protein 0.0074 0.0104 0.1447
Brugia malayi isocitrate dehydrogenase 0.0018 0.0018 0.0025
Schistosoma mansoni hypothetical protein 0.0015 0.0014 0.0193
Brugia malayi BRM protein 0.0078 0.011 0.0152
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0042 0.0153
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0008 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Giardia lamblia DINP protein human, muc B family 0.0022 0.0025 0.0087
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0008 0.0011
Echinococcus multilocularis Chromo domain 0.0013 0.0011 0.0153
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0091
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0045 0.0059 0.0819
Echinococcus multilocularis dnaJ subfamily B 0.0474 0.072 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0018 0.0068
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0083 0.03
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.035 0.0529 0.194
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0008 0.0011
Echinococcus multilocularis dna polymerase eta 0.0022 0.0025 0.0343
Echinococcus granulosus muscleblind protein 0.0173 0.0257 0.3566
Onchocerca volvulus 0.0012 0.0008 0.0008
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0203 0.3768
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.0012 0.0009 0.0033
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0008 0.0115
Plasmodium vivax telomerase reverse transcriptase, putative 0.1775 0.2724 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Brugia malayi nuclear hormone receptor 0.0012 0.0008 0.0011
Brugia malayi polybromodomain protein 0.0007 0.0001 0.0002
Loa Loa (eye worm) BRM protein 0.004 0.0052 0.0968
Schistosoma mansoni cpg binding protein 0.0072 0.0101 0.1407
Brugia malayi dihydrofolate reductase family protein 0.0208 0.031 0.0427
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0024 0.0442
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0001 0.0004
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0068
Echinococcus granulosus smad 0.0009 0.0005 0.0066
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0006 0.0085
Schistosoma mansoni hypothetical protein 0.0042 0.0054 0.0756
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0001 0.0004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0099 0.1374
Schistosoma mansoni cpg binding protein 0.0074 0.0104 0.1447
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0013 0.0011 0.0153
Loa Loa (eye worm) hypothetical protein 0.0173 0.0257 0.476
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0024 0.0498
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0003 0.0042
Trichomonas vaginalis lymphoid specific helicase, putative 0.0014 0.0012 0.0253
Toxoplasma gondii DNA methyltransferase 2, putative 0.0023 0.0026 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0008 0.0115
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.0113 0.0413
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0025 0.0091
Echinococcus granulosus snurportin 1 0.0357 0.054 0.7492
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0025 0.0405
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0018 0.0256
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0005 0.0066
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0014 0.0012 0.0044
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0115 0.0167 0.2731
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0018 0.0256
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0025 0.0343
Echinococcus granulosus dnaJ subfamily B 0.0474 0.072 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0024 0.039
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0087
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0006 0.0008
Trichomonas vaginalis helicase, putative 0.0008 0.0002 0.0039
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0008 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0001 0.0004
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0054 0.0756
Echinococcus granulosus DNA methyltransferase 2, putative 0.0023 0.0026 0.0354
Toxoplasma gondii RNA-directed DNA polymerase 0.1775 0.2724 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0025 0.0517
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0008 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0008 0.0011
Loa Loa (eye worm) histone methyltransferase 0.001 0.0006 0.0113
Leishmania major importin beta-1 subunit, putative 0.0027 0.0032 0.0117
Toxoplasma gondii hypothetical protein 0.0098 0.0141 0.0519
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0025 0.0343
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0024 0.0033
Plasmodium falciparum telomerase reverse transcriptase 0.1775 0.2724 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0014 0.0051
Schistosoma mansoni Smad4 0.0009 0.0005 0.0066
Plasmodium falciparum flap endonuclease 1 0.003 0.0037 0.0135
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0008 0.0115
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0001 0.0004
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0079 0.0113 0.0413
Echinococcus granulosus BRK domain containing protein 0.0013 0.0011 0.0153
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0023 0.0026 0.0418
Leishmania major mitochondrial DNA polymerase beta 0.035 0.0529 0.1943
Trypanosoma brucei unspecified product 0.0015 0.0014 0.0051
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0012 0.0009 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0087
Entamoeba histolytica hypothetical protein 0.0115 0.0167 0.2731
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0001 0.0004
Brugia malayi MH1 domain containing protein 0.0009 0.0005 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0008 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0008 0.0154
Echinococcus granulosus disco interacting protein 2 0.0045 0.0059 0.0819
Chlamydia trachomatis dihydrofolate reductase 0.0208 0.031 0.5
Echinococcus granulosus global transcription activator snf2l2 0.0078 0.011 0.1529
Brugia malayi MH1 domain containing protein 0.0009 0.0005 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Echinococcus granulosus Chromo domain 0.0013 0.0011 0.0153
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0024 0.0184
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0025 0.0087
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0008 0.0115
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0018 0.0256
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0037 0.0131
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.0245 0.0901
Echinococcus multilocularis snurportin 1 0.0357 0.054 0.7492
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0025 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0008 0.0011
Brugia malayi MH2 domain containing protein 0.0009 0.0005 0.0007
Schistosoma mansoni polybromo-1 0.0007 0.0001 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Entamoeba histolytica hypothetical protein 0.0027 0.0032 0.0524
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0024 0.0088
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Entamoeba histolytica hypothetical protein 0.0042 0.0054 0.0892
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0208 0.031 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0005 0.0066
Plasmodium falciparum Snf2-related CBP activator, putative 0.0007 0.0001 0.0003
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0001 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0008 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0005 0.0089
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0001 0.0004
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Toxoplasma gondii exonuclease III APE 0.0022 0.0024 0.0088
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0008 0.0115
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0003 0.0042
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0037 0.0135
Brugia malayi glutaminase DH11.1 0.0317 0.0478 0.0658
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0025 0.0091
Echinococcus granulosus dna polymerase kappa 0.0022 0.0025 0.0343
Echinococcus multilocularis dihydrofolate reductase 0.0208 0.031 0.4303
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0024 0.0088
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0008 0.0115
Plasmodium vivax importin-beta 2, putative 0.0033 0.0042 0.0153
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0008 0.0115
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0008 0.0008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0066 0.0239
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0066 0.0243
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Echinococcus granulosus flap endonuclease 1 0.003 0.0037 0.051
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0008 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0008 0.0011
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0006 0.0085
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0008 0.0115
Brugia malayi Disco-interacting protein 2 homolog 0.0045 0.0059 0.0081
Echinococcus multilocularis muscleblind protein 0.0173 0.0257 0.3566
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0024 0.0084
Brugia malayi RNA, U transporter 1 0.0095 0.0137 0.0188
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0024 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0008 0.0115
Brugia malayi Muscleblind-like protein 0.0173 0.0257 0.0354
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0054 0.0756
Trichomonas vaginalis glutaminase, putative 0.0317 0.0478 1
Loa Loa (eye worm) dihydrofolate reductase 0.0208 0.031 0.5744
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0024 0.0084
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0037 0.0135
Plasmodium vivax DEAD/DEAH helicase, putative 0.0012 0.0009 0.0033
Trypanosoma brucei mitochondrial DNA polymerase beta 0.035 0.0529 0.1943
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0025
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0042 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0008 0.0011
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0023 0.0026 0.0094
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1775 0.2724 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0008 0.0011
Giardia lamblia Telomerase catalytic subunit 0.1775 0.2724 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0018 0.0256
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0025 0.0214
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0023 0.0026 0.0354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0008 0.0154
Schistosoma mansoni glutaminase 0.0317 0.0478 0.6638
Leishmania major DNA polymerase eta, putative 0.0022 0.0025 0.0091
Schistosoma mansoni hypothetical protein 0.0357 0.054 0.7492
Echinococcus multilocularis flap endonuclease 1 0.003 0.0037 0.051
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0068
Echinococcus granulosus Smad4 0.0009 0.0005 0.0066
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0042
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0066 0.0239
Loa Loa (eye worm) SNF2 family domain-containing protein 0.0007 0.0001 0.0013
Brugia malayi Smad1 0.0009 0.0005 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0079 0.0113 0.041
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Echinococcus granulosus polybromo 1 0.0007 0.0001 0.0019
Brugia malayi SNF2 family N-terminal domain containing protein 0.0007 0.0001 0.0001
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0001 0.0004
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0023 0.0026 0.0094
Schistosoma mansoni ap endonuclease 0.0022 0.0024 0.0331
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0001 0.0004
Schistosoma mansoni coup transcription factor 0.0012 0.0008 0.0115
Loa Loa (eye worm) glutaminase 0.0317 0.0478 0.886
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0002 0.0039
Echinococcus multilocularis smad 0.0009 0.0005 0.0066
Echinococcus multilocularis Helicase SANT associated, DNA binding 0.0007 0.0001 0.001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0008 0.0115
Schistosoma mansoni helicase 0.0007 0.0001 0.001
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0008 0.0115
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0003 0.0042
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0025 0.0091
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0018 0.0064
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0002 0.0039
Schistosoma mansoni hypothetical protein 0.0474 0.072 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0066 0.0239
Leishmania major DNA polymerase eta, putative 0.0007 0.0001 0.0004
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0037 0.0681
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Mycobacterium ulcerans glutaminase 0.0317 0.0478 1
Loa Loa (eye worm) helicase DNA-binding protein 0.0013 0.0011 0.0204
Echinococcus granulosus geminin 0.0196 0.0293 0.4064
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0042 0.0153
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.0245 0.0901
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0023 0.0026 0.0094
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0403 0.0611 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0005 0.0066
Loa Loa (eye worm) CXXC zinc finger family protein 0.0072 0.0101 0.1878
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0037 0.0135
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0018 0.0068
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0032 0.0669
Leishmania major DNA polymerase kappa, putative 0.0007 0.0001 0.0004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0008 0.0011
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0002 0.0039
Echinococcus granulosus helicase 0.0007 0.0001 0.001
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0024 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0024 0.0331
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0025 0.0087
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0008 0.0115
Brugia malayi nuclear receptor NHR-88 0.0012 0.0008 0.0011
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0037 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0021
Leishmania major DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Echinococcus multilocularis BRK domain containing protein 0.0013 0.0011 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0025 0.0091
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0008 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0008 0.0011
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0154
Schistosoma mansoni helicase 0.0007 0.0001 0.001
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0008 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0008 0.0154
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0008 0.0115
Loa Loa (eye worm) hypothetical protein 0.0173 0.0257 0.476
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0008 0.0115
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0024 0.0479
Schistosoma mansoni DNA polymerase eta 0.0022 0.0025 0.0343
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0042 0.0579
Schistosoma mansoni helicase 0.0078 0.011 0.1529
Plasmodium vivax helicase, putative 0.0007 0.0001 0.0003
Plasmodium falciparum importin beta, putative 0.0033 0.0042 0.0153
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0001 0.0004
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0008 0.0115
Brugia malayi ecdysteroid receptor 0.0012 0.0008 0.0011
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0023 0.0026 0.0354
Mycobacterium tuberculosis Conserved hypothetical protein 0.0184 0.0274 0.8773
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0025 0.0458
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0018
Brugia malayi MH2 domain containing protein 0.0009 0.0005 0.0007
Echinococcus multilocularis Smad4 0.0009 0.0005 0.0066
Entamoeba histolytica hypothetical protein 0.0042 0.0054 0.0892
Trypanosoma brucei telomerase reverse transcriptase 0.1775 0.2724 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0002 0.0039
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0005 0.0066
Schistosoma mansoni smad1 5 8 and 0.0009 0.0005 0.0066
Brugia malayi polk-prov protein 0.0007 0.0001 0.0001
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0008 0.0011
Schistosoma mansoni hypothetical protein 0.0013 0.0011 0.0153
Brugia malayi Dihydrofolate reductase 0.0208 0.031 0.0427

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.71 Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) ChEMBL. 6420569
Ki (binding) = 5.25 Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) ChEMBL. 6420569
Log 1/C (binding) = 3.12 Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate ChEMBL. 6699880
Log 1/C (binding) = 5.71 Compound was tested for inhibition of bovine liver dihydrofolate reductase ChEMBL. 7241512
Log 1/C (binding) = 6.28 Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate ChEMBL. 6699880
Log 1/C (binding) = 3.12 Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate ChEMBL. 6699880
Log 1/C (binding) = 5.71 Compound was tested for inhibition of bovine liver dihydrofolate reductase ChEMBL. 7241512
Log 1/C (binding) = 6.28 Inhibitory activity against dihydrofolate reductase (DHFR) isolated from murine L5178Y tumor cells resistant and sensitive to methotrexate ChEMBL. 6699880
Log 1/Ki (binding) = 2.71 Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) ChEMBL. 6420569
Log 1/Ki (binding) = 5.25 Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) ChEMBL. 6420569
Log 1/Ki app (binding) = 4.08 Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) ChEMBL. 6694162
Log 1/Ki app (binding) = 4.08 Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR) ChEMBL. 6694162

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

4 literature references were collected for this gene.

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