Detailed information for compound 169587

Basic information

Technical information
  • TDR Targets ID: 169587
  • Name: 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-N-m ethyl-2-nitroanilino]methyl]benzoic acid
  • MW: 422.437 | Formula: C21H22N6O4
  • H donors: 3 H acceptors: 6 LogP: 2.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(N)nc(c1c1ccc(c(c1)[N+](=O)[O-])N(Cc1ccc(cc1)C(=O)O)C)N
  • InChi: 1S/C21H22N6O4/c1-3-15-18(19(22)25-21(23)24-15)14-8-9-16(17(10-14)27(30)31)26(2)11-12-4-6-13(7-5-12)20(28)29/h4-10H,3,11H2,1-2H3,(H,28,29)(H4,22,23,24,25)
  • InChiKey: YLNLGHQMRMWPSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-N-methyl-2-nitro-anilino]methyl]benzoic acid
  • 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-N-methyl-2-nitroanilino]methyl]benzoic acid
  • 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]-methyl-amino]methyl]benzoic acid
  • 4-[[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitrophenyl]-methylamino]methyl]benzoic acid
  • 4-[[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-methyl-amino]methyl]benzoic acid
  • 4-[[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-nitrophenyl]-methylamino]methyl]benzoic acid
  • 4-{[[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)-2-nitrophenyl](methyl)amino]methyl}benzoic acid
  • AIDS-011509
  • AIDS011509

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Pneumocystis carinii Dihydrofolate reductase Starlite/ChEMBL References
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 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
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis 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
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 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
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase 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
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 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
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Babesia bovis dihydrofolate reductase/thymidilate 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
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi Dihydrofolate reductase 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
Brugia malayi dihydrofolate reductase family protein 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
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana 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
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Onchocerca volvulus 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
Candida albicans 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
Leishmania infantum 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 ulcerans 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
Echinococcus multilocularis 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
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 34.3 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 211 aa 28.4 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pre-SET motif family protein 0.0203 0.4012 0.4006
Echinococcus multilocularis acetylcholinesterase 0.0197 0.3863 0.3857
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0075 0.0064
Echinococcus granulosus neuroligin 0.0033 0.0167 0.0156
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.021 0.0199
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0075 0.0064
Schistosoma mansoni neuroligin 3 (S09 family) 0.0033 0.0167 0.0156
Brugia malayi hypothetical protein 0.0035 0.021 0.0199
Chlamydia trachomatis dihydrofolate reductase 0.0468 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0075 0.0064
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0167 0.0156
Echinococcus granulosus acetylcholinesterase 0.0197 0.3863 0.3857
Brugia malayi Carboxylesterase family protein 0.0197 0.3863 0.3857
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0426 0.0415
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0197 0.3863 0.3857
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0468 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0033 0.0167 0.0156
Echinococcus multilocularis thymidylate synthase 0.013 0.235 0.2341
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.235 0.222
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0341 0.7136 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0075 0.0064
Loa Loa (eye worm) acetylcholinesterase 1 0.0197 0.3863 0.3863
Echinococcus granulosus carboxylesterase 5A 0.0197 0.3863 0.3857
Echinococcus granulosus acetylcholinesterase 0.0197 0.3863 0.3857
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0274 0.5606 1
Schistosoma mansoni hypothetical protein 0.003 0.0093 0.0082
Trichomonas vaginalis set domain proteins, putative 0.0231 0.4648 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0426 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0426 0.0415
Onchocerca volvulus 0.0033 0.0167 0.0336
Brugia malayi Carboxylesterase family protein 0.0033 0.0167 0.0156
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.235 0.2341
Entamoeba histolytica hypothetical protein 0.0078 0.1177 0.1792
Loa Loa (eye worm) hypothetical protein 0.0044 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0075
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4012 0.4012
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0167 0.0156
Onchocerca volvulus 0.013 0.235 0.5044
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0075 0.0064
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0078 0.1177 0.1792
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0341 0.7136 1
Echinococcus multilocularis dihydrofolate reductase 0.0468 1 1
Schistosoma mansoni acetylcholinesterase 0.0033 0.0167 0.0156
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0075 0.0064
Schistosoma mansoni hypothetical protein 0.0035 0.021 0.0199
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0468 1 1
Loa Loa (eye worm) carboxylesterase 0.0033 0.0167 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0426 0.0415
Loa Loa (eye worm) carboxylesterase 0.0033 0.0167 0.0167
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0033 0.0167 0.0156
Brugia malayi Dihydrofolate reductase 0.0468 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0468 1 1
Echinococcus multilocularis acetylcholinesterase 0.0197 0.3863 0.3857
Echinococcus granulosus BC026374 protein S09 family 0.0033 0.0167 0.0156
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0341 0.7136 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.005 0.0039
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0426 0.0426
Onchocerca volvulus 0.0033 0.0167 0.0336
Loa Loa (eye worm) thymidylate synthase 0.013 0.235 0.235
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0406 0.0396
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0341 0.7136 0.5
Loa Loa (eye worm) hypothetical protein 0.0197 0.3863 0.3863
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0426 0.0415
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.003 0.0093 0.0093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.021 0.0199
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0426 0.0415
Mycobacterium tuberculosis Hypothetical protein 0.0062 0.0811 0.0655
Loa Loa (eye worm) hypothetical protein 0.0026 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Echinococcus granulosus dihydrofolate reductase 0.0468 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0426 0.0415
Brugia malayi thymidylate synthase 0.013 0.235 0.2341
Echinococcus granulosus para nitrobenzyl esterase 0.0033 0.0167 0.0156
Loa Loa (eye worm) hypothetical protein 0.0197 0.3863 0.3863
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0075 0.0064
Echinococcus multilocularis neuroligin 0.0033 0.0167 0.0156
Brugia malayi hypothetical protein 0.0033 0.0167 0.0156
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0426 0.0415
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0341 0.7136 1
Brugia malayi hypothetical protein 0.0062 0.0811 0.0801
Giardia lamblia DNA repair protein RAD52 0.0274 0.5606 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0033 0.0167 0.0156
Brugia malayi Carboxylesterase family protein 0.0033 0.0167 0.0156
Echinococcus granulosus thymidylate synthase 0.013 0.235 0.2341
Loa Loa (eye worm) hypothetical protein 0.0033 0.0167 0.0167
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0341 0.7136 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0033 0.0167 0.0156
Brugia malayi Pre-SET motif family protein 0.0029 0.0075 0.0064
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.0093 0.0082
Echinococcus multilocularis carboxylesterase 5A 0.0197 0.3863 0.3857
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.021 0.0199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0406 0.0406
Brugia malayi Carboxylesterase family protein 0.0033 0.0167 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0811 0.1438
Schistosoma mansoni gliotactin 0.0033 0.0167 0.0156
Onchocerca volvulus 0.0029 0.0075 0.0137
Onchocerca volvulus 0.0033 0.0167 0.0336
Mycobacterium ulcerans thymidylate synthase 0.013 0.235 0.222
Brugia malayi Carboxylesterase family protein 0.0033 0.0167 0.0156
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0011 0.0011
Loa Loa (eye worm) carboxylesterase 0.0197 0.3863 0.3863
Echinococcus multilocularis BC026374 protein (S09 family) 0.0033 0.0167 0.0156
Brugia malayi Carboxylesterase family protein 0.0197 0.3863 0.3857
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0033 0.0167 0.0156
Onchocerca volvulus 0.0033 0.0167 0.0336
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0406 0.0396
Onchocerca volvulus 0.0033 0.0167 0.0336
Onchocerca volvulus 0.0231 0.4648 1
Schistosoma mansoni dihydrofolate reductase 0.0468 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0468 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0031 uM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
IC50 (binding) = 0.0031 uM Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
IC50 (binding) = 0.0038 uM Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
IC50 (binding) = 0.0038 uM Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
IC50 (binding) = 0.27 uM Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
IC50 (binding) = 0.27 uM Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 microM dihydrofolic acid as substrate ChEMBL. 9301666
Ki (binding) = 0.0004 nM Inhibitory activity of compound against rat liver Dihydrofolate reductase ChEMBL. 9301666
Ki (binding) = 0.0004 nM Inhibitory activity of compound against rat liver Dihydrofolate reductase ChEMBL. 9301666
Selectivity ratio (binding) = 0.01 Selectivity ratio is IC50 of rat liver DHFR to that of Pneumocystis carinii DHFR ChEMBL. 9301666
Selectivity ratio (binding) = 1.23 Selectivity ratio is IC50 of rat liver DHFR to that of Toxoplasma gondii DHFR ChEMBL. 9301666
Survivors (functional) = 5 Number of M5076 reticulum cell sarcoma bearing mice survived among the tested (5) on day 24 after treating with compound dose of 12.5 mg/Kg/day ChEMBL. 9301666
T/C (functional) = 100 % Antitumor activity expressed as a ratio of tumor volumes of test (T) animals compared to control (C) animals(100) at a dose of 12.5 mg/kg/day ChEMBL. 9301666
T/C (functional) = 100 % Antitumor activity expressed as a ratio of tumor volumes of test (T) animals compared to control (C) animals(100) at a dose of 12.5 mg/kg/day ChEMBL. 9301666

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.

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