Detailed information for compound 1012022

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.394 | Formula: C15H17N5S
  • H donors: 3 H acceptors: 2 LogP: 3.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(Sc2ccccc2)[nH]c2c1c(N)nc(n2)N
  • InChi: 1S/C15H17N5S/c1-2-6-10-11-12(16)18-15(17)20-13(11)19-14(10)21-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H5,16,17,18,19,20)
  • InChiKey: KSJUTZNJZBBMIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dihydrofolate reductase Starlite/ChEMBL References
Escherichia coli Dihydrofolate reductase Starlite/ChEMBL References
Homo sapiens thymidylate synthetase Starlite/ChEMBL References
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Starlite/ChEMBL References
Escherichia coli thymidylate synthetase Starlite/ChEMBL References
Pneumocystis carinii Dihydrofolate reductase References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans hypothetical protein 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 Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni 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
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani serine carboxypeptidase (CBP1), putative Dihydrofolate reductase   157 aa 159 aa 23.3 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase Dihydrofolate reductase   157 aa 127 aa 19.7 %
Plasmodium vivax hypothetical protein, conserved Dihydrofolate reductase   157 aa 127 aa 26.8 %
Cryptosporidium parvum mannose-1-phosphate guanylyltransferase Dihydrofolate reductase   157 aa 139 aa 27.3 %
Candida albicans dihydrofolate reductase Dihydrofolate reductase   157 aa 149 aa 29.5 %
Dictyostelium discoideum dihydrofolate reductase Dihydrofolate reductase   157 aa 146 aa 27.4 %
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Dihydrofolate reductase   157 aa 160 aa 29.4 %
Onchocerca volvulus Putative dihydrofolate reductase Dihydrofolate reductase   157 aa 178 aa 23.6 %
Mycobacterium ulcerans dihydrofolate reductase DfrA Dihydrofolate reductase   157 aa 159 aa 28.3 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 34.3 %
Trypanosoma cruzi ATP- dependent RNA helicase, putative Dihydrofolate reductase   157 aa 140 aa 22.9 %
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Dihydrofolate reductase   157 aa 159 aa 21.4 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Cryptosporidium hominis GDP-mannose pyrophosphorylase (4N40) Dihydrofolate reductase   157 aa 139 aa 28.1 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Schistosoma mansoni dihydrofolate reductase Dihydrofolate reductase   157 aa 147 aa 28.6 %
Candida albicans hypothetical protein Dihydrofolate reductase   157 aa 149 aa 29.5 %
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Dihydrofolate reductase   157 aa 158 aa 29.1 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Chlamydia trachomatis dihydrofolate reductase Dihydrofolate reductase   157 aa 133 aa 24.8 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Candida albicans dihydrofolate reductase Dihydrofolate reductase   157 aa 149 aa 29.5 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 211 aa 28.4 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Leishmania infantum serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 Dihydrofolate reductase   157 aa 159 aa 23.3 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Onchocerca volvulus Germline survival defective-1 homolog Dihydrofolate reductase   157 aa 165 aa 24.8 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Plasmodium yoelii hypothetical protein Dihydrofolate reductase   157 aa 132 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.007 0.0115
Schistosoma mansoni hypothetical protein 0.0018 0.0145 0.0237
Schistosoma mansoni hypothetical protein 0.0372 0.4146 0.6764
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.007 0.007
Schistosoma mansoni thyroid hormone receptor 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0058 0.0595 0.097
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.007 0.0115
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0519 0.5807 0.9462
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.002 0.0033
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0145 0.0237
Echinococcus multilocularis cpg binding protein 0.0031 0.0291 0.0291
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0039 0.0064
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.007 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0093 0.0094
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0008 0.0012
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.007 0.0121
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.081 0.9099 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.007 0.0115
Loa Loa (eye worm) thymidylate synthase 0.0519 0.5807 0.9476
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0595 0.097
Schistosoma mansoni DNA polymerase eta 0.002 0.0163 0.0265
Leishmania major DNA polymerase eta, putative 0.002 0.0163 0.0171
Echinococcus granulosus GPCR family 2 0.0018 0.0145 0.0237
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.007 0.0115
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.007 0.0115
Schistosoma mansoni hypothetical protein 0.0421 0.4701 0.7671
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Brugia malayi hypothetical protein 0.0247 0.273 0.4454
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.007 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0093 0.0094
Brugia malayi polk-prov protein 0.0006 0.0007 0.0012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.007 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.007 0.0115
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.007 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.007 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0007 0.0012
Echinococcus granulosus dna polymerase eta 0.002 0.0163 0.0265
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0647 0.1055
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.081 0.9099 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0519 0.5807 0.9476
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0008 0.0012
Schistosoma mansoni hypothetical protein 0.004 0.0387 0.0631
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.007 0.0121
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0547 0.6129 1
Schistosoma mansoni coup transcription factor 0.0012 0.007 0.0115
Mycobacterium tuberculosis Hypothetical protein 0.0247 0.273 0.4303
Trypanosoma brucei unspecified product 0.0014 0.0093 0.0094
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0163 0.0265
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.007 0.0115
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0163 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0163 0.0171
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Echinococcus multilocularis geminin 0.0372 0.4146 0.4146
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.007 0.0115
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.007 0.007
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.007 0.0121
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.007 0.0115
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0041 0.0066
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0571 0.062
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.007 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.007 0.0115
Echinococcus multilocularis dihydrofolate reductase 0.0547 0.6129 0.6129
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.007 0.0115
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.007 0.0115
Echinococcus multilocularis GPCR, family 2 0.0018 0.0145 0.0145
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0163 0.0265
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0163 0.0254
Brugia malayi nuclear receptor NHR-88 0.0012 0.007 0.0115
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.007 0.0115
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0163 0.0171
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.007 0.0115
Trypanosoma brucei unspecified product 0.002 0.0163 0.0171
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.007 0.0115
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.081 0.9099 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.007 0.007
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.007 0.0115
Echinococcus multilocularis thymidylate synthase 0.0519 0.5807 0.5807
Brugia malayi hypothetical protein 0.0006 0.0008 0.0012
Echinococcus granulosus dnaJ subfamily B 0.0421 0.4701 0.7671
Schistosoma mansoni hypothetical protein 0.0018 0.0145 0.0237
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.007 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0163 0.0171
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0372 0.4146 0.6764
Brugia malayi Dihydrofolate reductase 0.0547 0.6129 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0547 0.6129 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.007 0.0115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0163 0.0265
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.081 0.9099 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.002 0.0033
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.007 0.007
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0272 0.0443
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0163 0.0254
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0008 0.0012
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0145 0.0237
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0093 0.0094
Leishmania major DNA polymerase kappa, putative 0.002 0.0163 0.0171
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.007 0.0115
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.007 0.0115
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.007 0.0115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.002 0.0033
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.002 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0247 0.273 1
Brugia malayi nuclear hormone receptor 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0145 0.0237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Schistosoma mansoni hypothetical protein 0.0018 0.0145 0.0237
Trypanosoma brucei unspecified product 0.0014 0.0093 0.0094
Echinococcus granulosus FTZ F1 alpha 0.0012 0.007 0.0115
Giardia lamblia DINP protein human, muc B family 0.002 0.0163 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0163 0.0171
Schistosoma mansoni nuclear hormone receptor 0.0012 0.007 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.007 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.007 0.007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0595 0.097
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0145 0.0237
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0247 0.273 0.2995
Brugia malayi steroid hormone receptor 0.0012 0.007 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Schistosoma mansoni hypothetical protein 0.0018 0.0145 0.0237
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0008 0.0012
Loa Loa (eye worm) hypothetical protein 0.002 0.0163 0.0265
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0163 0.0163
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.007 0.0115
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0145 0.0145
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0163 0.0171
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0163 0.0551
Loa Loa (eye worm) hypothetical protein 0.004 0.0387 0.0631
Loa Loa (eye worm) hypothetical protein 0.0018 0.0145 0.0237
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0387 0.0631
Echinococcus granulosus dna polymerase kappa 0.002 0.0163 0.0265
Brugia malayi dihydrofolate reductase family protein 0.0547 0.6129 1
Schistosoma mansoni cpg binding protein 0.0031 0.0291 0.0474
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.081 0.9099 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0163 0.0171
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0163 0.0171
Chlamydia trachomatis dihydrofolate reductase 0.0547 0.6129 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.007 0.0115
Echinococcus granulosus geminin 0.0372 0.4146 0.6764
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0008 0.0012
Brugia malayi CXXC zinc finger family protein 0.003 0.0272 0.0443
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.007 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.007 0.0115
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.002 0.002
Schistosoma mansoni thyroid hormone receptor 0.0012 0.007 0.0115
Echinococcus multilocularis dnaJ subfamily B 0.0421 0.4701 0.4701
Echinococcus granulosus thymidylate synthase 0.0519 0.5807 0.9476
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.007 0.0115
Onchocerca volvulus 0.003 0.0272 0.0468
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0012
Schistosoma mansoni cpg binding protein 0.0031 0.0291 0.0474
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0012
Onchocerca volvulus 0.0519 0.5807 1
Onchocerca volvulus 0.0012 0.007 0.0121
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0163 0.0265
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0145 0.0237
Loa Loa (eye worm) dihydrofolate reductase 0.0547 0.6129 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0012
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.007 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.007 0.0115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0595 0.097
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0163 0.0265
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0163 0.0265
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.007 0.0115
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0163 0.0171
Echinococcus granulosus dihydrofolate reductase 0.0547 0.6129 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0163 0.0551
Brugia malayi thymidylate synthase 0.0519 0.5807 0.9476
Schistosoma mansoni dihydrofolate reductase 0.0547 0.6129 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.081 0.9099 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0163 0.0163
Brugia malayi hypothetical protein 0.0006 0.0008 0.0012
Schistosoma mansoni cpg binding protein 0.003 0.0272 0.0443
Brugia malayi nuclear receptor RXR 0.0006 0.0008 0.0012
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0163 0.0171
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.007 0.0115
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.007 0.0115
Echinococcus granulosus cpg binding protein 0.0031 0.0291 0.0474
Brugia malayi ecdysteroid receptor 0.0012 0.007 0.0115
Echinococcus multilocularis dna polymerase eta 0.002 0.0163 0.0163
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0041
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.007 0.007
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0008 0.0012
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0145 0.0145
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0547 0.6129 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.007 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0115
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.007 0.0115
Mycobacterium ulcerans thymidylate synthase 0.0519 0.5807 0.9475
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0012
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0163 0.0171
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0163 0.0171

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 18605720
IC50 (binding) = 1.25 uM Inhibition of rat liver DHFR using dihydrofolic acid substrate and NADPH cofactor ChEMBL. 18605720
IC50 (binding) = 1.3 uM Inhibition of Escherichia coli dihydrofolate reductase ChEMBL. 18605720
IC50 (binding) > 1.4 uM Inhibition of Toxoplasma gondii thymidylate synthase ChEMBL. 18605720
IC50 (binding) = 4.21 uM Inhibition of Pneumocystis carinii DHFR using dihydrofolic acid substrate and NADPH cofactor ChEMBL. 18605720
IC50 (binding) > 14 uM Inhibition of human thymidylate synthase ChEMBL. 18605720
IC50 (binding) > 14 uM Inhibition of Escherichia coli thymidylate synthase ChEMBL. 18605720
IC50 (binding) = 33 uM Inhibition of human dihydrofolate reductase ChEMBL. 18605720
Inhibition (binding) = 0 % Inhibition of human thymidylate synthase at >14 uM ChEMBL. 18605720
Inhibition (binding) = 0 % Inhibition of Escherichia coli thymidylate synthase at >14 uM ChEMBL. 18605720
Inhibition (binding) = 0 % Inhibition of Toxoplasma gondii thymidylate synthase at >1.4 uM ChEMBL. 18605720

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.