Detailed information for compound 88540

Basic information

Technical information
  • TDR Targets ID: 88540
  • Name: 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyri midine-2,4-diamine
  • MW: 280.328 | Formula: C15H16N6
  • H donors: 3 H acceptors: 3 LogP: 1.38 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(c(n1)N)Cc1ccc2c(c1N)c(C)ccn2
  • InChi: 1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
  • InChiKey: AEVPVLVQOALREA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(5-amino-4-methyl-6-quinolyl)methyl]pyrimidine-2,4-diamine
  • 5-[(5-azanyl-4-methyl-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
  • [2-amino-5-[(5-amino-4-methyl-6-quinolyl)methyl]pyrimidin-4-yl]amine
  • [6-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methyl-5-quinolyl]amine
  • 5-[(5-amino-4-methyl-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli Dihydrofolate reductase type 1 Starlite/ChEMBL References
Rattus norvegicus 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
Echinococcus granulosus 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
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis 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
Candida albicans 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 hypothetical protein 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
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase 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
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Dihydrofolate reductase type 1   157 aa 142 aa 29.6 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Mycobacterium ulcerans dihydrofolate reductase DfrA Dihydrofolate reductase type 1   157 aa 148 aa 26.4 %
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 %
Candida albicans dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 131 aa 28.2 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium berghei AP2 domain transcription factor, putative Dihydrofolate reductase type 1   157 aa 140 aa 23.6 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Chlamydia trachomatis dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 131 aa 28.2 %
Onchocerca volvulus Putative dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 171 aa 24.6 %
Dictyostelium discoideum dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 159 aa 30.2 %
Echinococcus multilocularis dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 168 aa 25.6 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Onchocerca volvulus Germline survival defective-1 homolog Dihydrofolate reductase type 1   157 aa 161 aa 24.2 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Candida albicans dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 131 aa 28.2 %
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 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Dihydrofolate reductase type 1   157 aa 159 aa 23.9 %
Echinococcus granulosus dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 171 aa 25.1 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Schistosoma mansoni dihydrofolate reductase Dihydrofolate reductase type 1   157 aa 149 aa 28.9 %
Brugia malayi dihydrofolate reductase family protein Dihydrofolate reductase type 1   157 aa 144 aa 26.4 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Candida albicans hypothetical protein Dihydrofolate reductase type 1   157 aa 131 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0275 0.0454
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0275 0.8843
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0473 0.2302
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0283 0.0315
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0091 0.0154
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.2801 0.2734
Trypanosoma brucei metacaspase 5, putative 0.0046 0.0388 0.2216
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0151 0.0249
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0311 0.0513
Mycobacterium tuberculosis Conserved protein 0.0116 0.1229 0.1143
Chlamydia trachomatis dihydrofolate reductase 0.0287 0.3295 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.175 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0043 0.035 0.0261
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0283 0.0467
Mycobacterium ulcerans esterase/lipase LipP 0.0116 0.1229 0.2934
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0033 0.0233 0.0234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0621 0.098
Brugia malayi hypothetical protein 0.0053 0.0473 0.0799
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0275 0.0454
Loa Loa (eye worm) glutaminase 0.0305 0.3509 0.5928
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0033 0.0233 0.0351
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2157 0.3474
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0121 0.1293 0.1213
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0033 0.0233 0.0144
Toxoplasma gondii exonuclease III APE 0.0037 0.0283 0.1531
Plasmodium vivax SET domain protein, putative 0.0065 0.0621 0.26
Schistosoma mansoni alpha-glucosidase 0.0141 0.1536 0.2465
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0116 0.1229 0.1143
Echinococcus granulosus apoptotic protease activating factor 1 0.0043 0.035 0.0425
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0091 0.2934
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0233 0.0394
Trypanosoma cruzi metacaspase, putative 0.0046 0.0388 0.2216
Echinococcus multilocularis snurportin 1 0.0343 0.3972 0.3916
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.0621 0.0871
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2157 0.3474
Echinococcus granulosus geminin 0.0526 0.6176 1
Loa Loa (eye worm) glutaminase 2 0.0305 0.3509 0.5928
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1112 0.1778
Brugia malayi Melibiase family protein 0.0071 0.0687 0.1161
Echinococcus granulosus lysine specific demethylase 5A 0.0123 0.1324 0.2026
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0275 0.0454
Loa Loa (eye worm) hypothetical protein 0.0071 0.0687 0.1161
Mycobacterium tuberculosis Probable lipase LipD 0.0116 0.1229 0.1143
Trypanosoma brucei metacaspase MCA2 0.0046 0.0388 0.2216
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0311 0.1776
Echinococcus granulosus importin subunit beta 1 0.0032 0.0224 0.0219
Schistosoma mansoni jumonji/arid domain-containing protein 0.0123 0.1324 0.2121
Trypanosoma cruzi metacaspase, putative 0.0046 0.0388 0.2216
Onchocerca volvulus 0.0095 0.0978 0.1615
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0283 0.5
Brugia malayi Cell death protein 3 precursor 0.0088 0.0901 0.1521
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0033 0.0233 0.1247
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0311 0.1776
Toxoplasma gondii ABC1 family protein 0.0116 0.1229 0.6995
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.1229 0.1968
Brugia malayi MH2 domain containing protein 0.0121 0.1299 0.2194
Plasmodium vivax JmjC domain containing protein 0.0033 0.0233 0.006
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0091 0.0154
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0091 0.0521
Echinococcus multilocularis phd:f box containing protein 0.0033 0.0233 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1229 0.7025
Schistosoma mansoni DNA helicase recq1 0.0021 0.0091 0.012
Mycobacterium leprae Probable lipase LipE 0.0116 0.1229 0.3191
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0311 0.0222
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.181 0.2826
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.2157 0.3395
Loa Loa (eye worm) RecQ helicase 0.0021 0.0091 0.0154
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0311 0.0361
Echinococcus granulosus jumonji domain containing 1A 0.0033 0.0233 0.0234
Mycobacterium tuberculosis Conserved protein 0.0116 0.1229 0.1143
Plasmodium falciparum metacaspase 1 0.0046 0.0388 0.1788
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.2157 0.2084
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0065 0.0621 0.0535
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0224 0.0134
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0311 0.1694
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0275 0.1486
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0224 0.1194
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0388 0.2137
Echinococcus multilocularis caspase 3 0.0075 0.0742 0.0657
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0123 0.1324 0.2026
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.181 0.1735
Plasmodium vivax hypothetical protein, conserved 0.0116 0.1229 0.6587
Loa Loa (eye worm) hypothetical protein 0.0033 0.0233 0.0394
Mycobacterium ulcerans glutaminase 0.0305 0.3509 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0283 0.1616
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0046 0.0388 0.0601
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.1229 0.2029
Schistosoma mansoni inositol monophosphatase 0.0039 0.0311 0.0476
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0123 0.1324 0.1244
Echinococcus multilocularis geminin 0.0526 0.6176 0.6141
Loa Loa (eye worm) hypothetical protein 0.0088 0.0901 0.1521
Schistosoma mansoni hypothetical protein 0.0343 0.3972 0.6421
Echinococcus granulosus caspase 8 0.0046 0.0388 0.0487
Brugia malayi beta-lactamase family protein 0.0116 0.1229 0.2076
Leishmania major hypothetical protein, conserved 0.0116 0.1229 0.7025
Brugia malayi jmjC domain containing protein 0.0033 0.0233 0.0394
Brugia malayi Dihydrofolate reductase 0.0287 0.3295 0.5566
Schistosoma mansoni jumonji domain containing protein 0.0033 0.0233 0.0351
Brugia malayi jmjC domain containing protein 0.0033 0.0233 0.0394
Leishmania major importin beta-1 subunit, putative 0.0026 0.0151 0.0863
Schistosoma mansoni caspase-7 (C14 family) 0.0121 0.1293 0.2071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.2157 0.3395
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0287 0.3295 0.9336
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0311 0.1776
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0091 0.0426
Echinococcus granulosus phd:f box containing protein 0.0033 0.0233 0.0234
Leishmania major metacaspase, putative 0.0046 0.0388 0.2216
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0311 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0091 0.0426
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0275 0.0454
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0283 0.0467
Onchocerca volvulus 0.0065 0.0621 0.1025
Loa Loa (eye worm) hypothetical protein 0.0032 0.0224 0.0379
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0388 0.2137
Schistosoma mansoni hypothetical protein 0.0024 0.0122 0.017
Brugia malayi Pre-SET motif family protein 0.0065 0.0621 0.1049
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0621 0.098
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0091 0.0154
Brugia malayi follicle stimulating hormone receptor 0.0505 0.592 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0033 0.0233 0.1247
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.0687 0.1088
Leishmania major hypothetical protein, conserved 0.0033 0.0233 0.1334
Trypanosoma brucei metacaspase MCA3 0.0046 0.0388 0.2216
Loa Loa (eye worm) hypothetical protein 0.0033 0.0233 0.0394
Brugia malayi Inositol-1 0.0039 0.0311 0.0525
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0283 0.9096
Schistosoma mansoni jumonji domain containing protein 0.0123 0.1324 0.2121
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0311 0.0513
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0193 0.2157 0.3643
Schistosoma mansoni caspase-3 (C14 family) 0.0121 0.1293 0.2071
Echinococcus granulosus beta LACTamase domain containing family member 0.0116 0.1229 0.187
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.181 0.1735
Brugia malayi Pre-SET motif family protein 0.0454 0.5303 0.8958
Trypanosoma brucei glucosidase, putative 0.0036 0.0275 0.1571
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0275 0.8843
Echinococcus multilocularis JmjC domain containing protein 4 0.0033 0.0233 0.0144
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0106 0.1112 0.1678
Schistosoma mansoni survival motor neuron protein 0.005 0.0441 0.0689
Schistosoma mansoni alpha-glucosidase 0.0141 0.1536 0.2465
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.175 1
Onchocerca volvulus 0.0043 0.035 0.0577
Echinococcus multilocularis beta LACTamase domain containing family member 0.0116 0.1229 0.1148
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0151 0.0249
Echinococcus granulosus caspase 2 0.0088 0.0901 0.133
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0116 0.1229 0.2076
Plasmodium vivax metacaspase 1, putative 0.0046 0.0388 0.1071
Onchocerca volvulus 0.0116 0.1229 0.2029
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Brugia malayi hypothetical protein 0.0034 0.0248 0.0418
Schistosoma mansoni ap endonuclease 0.0037 0.0283 0.0431
Onchocerca volvulus 0.0116 0.1229 0.2029
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0233 0.0394
Plasmodium falciparum importin beta, putative 0.0032 0.0224 0.0802
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.1229 0.2029
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.1229 0.7025
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.1229 0.1968
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0275 0.0464
Loa Loa (eye worm) hypothetical protein 0.0053 0.0473 0.0799
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0621 0.098
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0454 0.5303 0.8958
Loa Loa (eye worm) dihydrofolate reductase 0.0287 0.3295 0.5566
Trypanosoma brucei metacaspase 0.0046 0.0388 0.2216
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0121 0.1293 0.1975
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0063 0.0592 0.0823
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0065 0.0621 0.0535
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0287 0.3295 0.3581
Loa Loa (eye worm) inositol-1 0.0039 0.0311 0.0525
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0046 0.0388 0.0655
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.175 1
Schistosoma mansoni caspase-7 (C14 family) 0.0088 0.0901 0.1434
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.1299 0.2194
Trichomonas vaginalis set domain proteins, putative 0.0516 0.6058 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0311 1
Brugia malayi Importin beta-1 subunit 0.0032 0.0224 0.0379
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0343 0.3972 0.671
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0224 0.1282
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0473 0.2703
Trypanosoma brucei Metacaspase-4 0.0046 0.0388 0.2216
Schistosoma mansoni phd/f-box containing protein 0.0033 0.0233 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0441 0.0746
Schistosoma mansoni hypothetical protein 0.0526 0.6176 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0106 0.1112 0.103
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0122 0.0051
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0473 0.263
Echinococcus multilocularis caspase 0.0121 0.1293 0.1213
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.1229 0.2029
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0091 0.0151
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0275 0.0454
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0116 0.1229 0.2934
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0091 0.0521
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0311 0.0513
Onchocerca volvulus 0.0116 0.1229 0.2029
Loa Loa (eye worm) hypothetical protein 0.0043 0.035 0.0591
Toxoplasma gondii melibiase subfamily protein 0.0106 0.1112 0.632
Brugia malayi hypothetical protein 0.0246 0.2801 0.4731
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.2157 0.2084
Mycobacterium tuberculosis Probable lipase LipE 0.0116 0.1229 0.1143
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1112 0.1778
Echinococcus multilocularis dihydrofolate reductase 0.0287 0.3295 0.3233
Echinococcus granulosus lysine specific demethylase 6a 0.0033 0.0233 0.0234
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0091 0.0151
Trichomonas vaginalis esterase, putative 0.0116 0.1229 0.2029
Echinococcus multilocularis lysine specific demethylase 5A 0.0123 0.1324 0.1244
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0275 0.1571
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0275 0.0454
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1112 0.1778
Loa Loa (eye worm) hypothetical protein 0.0033 0.0233 0.0394
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0473 0.1631
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0283 0.0383
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.1229 0.7025
Echinococcus granulosus caspase 0.0121 0.1293 0.1975
Schistosoma mansoni jumonji/arid domain-containing protein 0.0123 0.1324 0.2121
Echinococcus multilocularis lysine specific demethylase 6a 0.0033 0.0233 0.0144
Brugia malayi RNA, U transporter 1 0.0091 0.0938 0.1585
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Schistosoma mansoni dihydrofolate reductase 0.0287 0.3295 0.5321
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0275 0.0464
Plasmodium falciparum metacaspase-like protein 0.0046 0.0388 0.1788
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0275 0.0454
Schistosoma mansoni inositol monophosphatase 0.0039 0.0311 0.0476
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.0233 0.0394
Schistosoma mansoni hypothetical protein 0.005 0.0441 0.0689
Loa Loa (eye worm) hypothetical protein 0.0246 0.2801 0.4731
Mycobacterium tuberculosis Probable hydrolase 0.0116 0.1229 0.1143
Schistosoma mansoni ap endonuclease 0.0037 0.0283 0.0431
Brugia malayi jmjC domain containing protein 0.0033 0.0233 0.0394
Echinococcus multilocularis caspase 2 0.0088 0.0901 0.0817
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0106 0.1112 0.103
Plasmodium falciparum JmjC domain-containing protein, putative 0.0033 0.0233 0.0857
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Echinococcus granulosus JmjC domain containing protein 4 0.0033 0.0233 0.0234
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0116 0.1229 0.1143
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0283 0.1155
Schistosoma mansoni importin beta-1 0.0032 0.0224 0.0336
Trichomonas vaginalis glutaminase, putative 0.0305 0.3509 0.5792
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0388 0.2216
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0116 0.1229 0.1143
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0738 0.8731 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0283 0.1616
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0283 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0151 0.0249
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Brugia malayi glutaminase DH11.1 0.0305 0.3509 0.5928
Brugia malayi jmjC domain containing protein 0.0033 0.0233 0.0394
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0287 0.3295 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1112 0.1778
Brugia malayi beta-lactamase 0.0116 0.1229 0.2076
Mycobacterium leprae conserved hypothetical protein 0.0116 0.1229 0.3191
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0091 0.0154
Schistosoma mansoni protein phosphatase 2C 0.0033 0.0233 0.0351
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0388 0.1071
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0283 0.0478
Onchocerca volvulus Cell death protein 3 homolog 0.0088 0.0901 0.1487
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0116 0.1229 0.2076
Echinococcus granulosus snurportin 1 0.0343 0.3972 0.6378
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0388 0.064
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0283 0.1616
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.0687 0.1135
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0275 0.1571
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.1229 0.2029
Echinococcus multilocularis caspase 8 0.0046 0.0388 0.0299
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0473 0.2703
Onchocerca volvulus 0.0516 0.6058 1
Schistosoma mansoni glutaminase 0.0305 0.3509 0.5669
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.175 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0275 0.0302
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0033 0.0233 0.1334
Leishmania major hypothetical protein, conserved 0.0053 0.0473 0.2703
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0065 0.0621 0.3484
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.181 0.3058
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0388 0.2216
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0091 0.0151
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0065 0.0621 0.098
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0283 0.1616
Schistosoma mansoni DNA helicase recq5 0.0021 0.0091 0.012
Loa Loa (eye worm) beta-lactamase 0.0116 0.1229 0.2076
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0505 0.592 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.1299 0.2194
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0388 0.064
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0388 0.2137
Brugia malayi jmjC domain containing protein 0.0123 0.1324 0.2236
Echinococcus granulosus dihydrofolate reductase 0.0287 0.3295 0.5265
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0275 0.0454
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0473 0.2703
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0154
Trypanosoma cruzi metacaspase, putative 0.0046 0.0388 0.2216
Brugia malayi beta-lactamase family protein 0.0116 0.1229 0.2076
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.181 0.3058
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0091 0.0521
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0275 0.0454
Schistosoma mansoni hypothetical protein 0.0043 0.035 0.054
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.175 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0224 0.1282
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.175 1
Echinococcus multilocularis jumonji domain containing 1A 0.0033 0.0233 0.0144
Brugia malayi dihydrofolate reductase family protein 0.0287 0.3295 0.5566
Mycobacterium tuberculosis Probable esterase LipL 0.0116 0.1229 0.1143
Entamoeba histolytica hypothetical protein 0.0026 0.0151 0.4858
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0275 0.0185
Brugia malayi jmjC domain containing protein 0.0123 0.1324 0.2236
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0193 0.2157 0.3643
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0275 0.1571
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Mycobacterium ulcerans lipase LipD 0.0116 0.1229 0.2934
Schistosoma mansoni alpha glucosidase 0.0036 0.0275 0.0418
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0033 0.0233 0.1334
Loa Loa (eye worm) hypothetical protein 0.0116 0.1229 0.2076
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0311 0.1776
Schistosoma mansoni hypothetical protein 0.0526 0.6176 1
Brugia malayi hypothetical protein 0.0043 0.035 0.0591
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0311 0.0087
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.2801 0.4453
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0033 0.0233 0.1334
Mycobacterium ulcerans hypothetical protein 0.0116 0.1229 0.2934
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0283 0.0025
Echinococcus granulosus caspase 3 0.0075 0.0742 0.107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2157 0.3474
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0283 0.0193
Trypanosoma cruzi metacaspase, putative 0.0046 0.0388 0.2216
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.1229 0.2029
Mycobacterium tuberculosis Conserved protein 0.0116 0.1229 0.1143
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0122 0.0031
Loa Loa (eye worm) hypothetical protein 0.0065 0.0621 0.1049
Mycobacterium ulcerans beta-lactamase 0.0116 0.1229 0.2934
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.0687 0.1088
Loa Loa (eye worm) hypothetical protein 0.0046 0.0388 0.0655
Onchocerca volvulus 0.005 0.0441 0.0729
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.1324 0.2236
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0151 0.0863
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0283 0.0478
Schistosoma mansoni phosphatidylserine receptor 0.0033 0.0233 0.0351
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0473 0.2302

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 2900000000 M Inhibitory activity to dihydrofolate reductase in Escherichia coli ChEMBL. 2502632
I50 (binding) = 150000000000 M Inhibitory activity against dihydrofolate reductase in rat liver ChEMBL. 2502632
IC50 (binding) = 0.00000029 M Inhibitory activity to dihydrofolate reductase in Escherichia coli ChEMBL. 2502632
IC50 (binding) = 0.000015 M Inhibitory activity against dihydrofolate reductase in rat liver ChEMBL. 2502632
MIC (functional) = 10 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Streptococcus faecalis CN478 ChEMBL. 2502632
MIC (functional) > 10 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Serratia marcescens CN2398 ChEMBL. 2502632
MIC (functional) = 30 ug ml-1 Comparative invitro antibacterial activity of compound with trimethoprim against Streptococcus pyogenes CN10 ChEMBL. 2502632
MIC (functional) = 30 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Staphylococcus aureus CN491 ChEMBL. 2502632
MIC (functional) = 30 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Proteus mirabilis S2409 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Streptococcus agalactiae CN1143 ChEMBL. 2502632
MIC (functional) > 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Bordetella bronchiseptica CN385 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Vibrio cholerae ATCC 14035 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Mycobacterium smegmatis S 3254 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Salmonella typhimurium S 8587 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Salmonella typhi CN512 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Shigella flexneri CN6007 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Escherichia coli CN314 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Klebsiella pneumoniae CN3632 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Citrobacter freundii 2200/77 ChEMBL. 2502632
MIC (functional) > 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Proteus vulgaris CN329 ChEMBL. 2502632
MIC (functional) = 100 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Escherichia coli CN314 ChEMBL. 2502632
MIC (functional) = 300 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Pasteurella multocida ATCC 6587 ChEMBL. 2502632
MIC (functional) = 300 ug ml-1 Comparative in vitro antibacterial activity with trimethoprim against Enterobacter aerogenes 2200/86 ChEMBL. 2502632

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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