Detailed information for compound 134538

Basic information

Technical information
  • TDR Targets ID: 134538
  • Name: 5-methyl-6-[(3,4,5-trichloroanilino)methyl]py rido[2,3-d]pyrimidine-2,4-diamine
  • MW: 383.663 | Formula: C15H13Cl3N6
  • H donors: 3 H acceptors: 3 LogP: 3.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)ncc(c2C)CNc1cc(Cl)c(c(c1)Cl)Cl
  • InChi: 1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24)
  • InChiKey: CWTSTOMTDDHBJU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-6-[[(3,4,5-trichlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-(3,4,5-trichlorophenyl)amine
  • 5-methyl-6-[[(3,4,5-trichlorophenyl)amino]methyl]pyrido[3,2-e]pyrimidine-2,4-diamine
  • (2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-(3,4,5-trichlorophenyl)amine
  • 2,4-Diamino-5-methyl-6-[(3',4',5'-trichloroanilino)methyl]pyrido[2,3-d]pyrimidine
  • AIDS-009360
  • AIDS009360

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative 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
Brugia malayi 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
Chlamydia trachomatis 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
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr 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
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 Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative 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
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
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
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus 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 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
Plasmodium yoelii thymidylate synthase, putative 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
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
Babesia bovis dihydrofolate reductase/thymidilate 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
Brugia malayi dihydrofolate reductase family protein 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 hypothetical protein 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
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 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
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium vivax 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
Echinococcus granulosus 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 dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
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 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Trypanosoma brucei gambiense 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 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
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 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 34.3 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Trypanosoma brucei 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 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0512 0.0988
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0512 0.0597
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0004
Schistosoma mansoni dihydrofolate reductase 0.0676 0.8587 1
Schistosoma mansoni lamin 0.003 0.0212 0.0198
Loa Loa (eye worm) hypothetical protein 0.003 0.0205 0.0239
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0608 0.0708
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0421 0.528 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0758 0.0836
Loa Loa (eye worm) thymidylate synthase 0.013 0.1505 0.1753
Loa Loa (eye worm) hypothetical protein 0.0015 0.001 0.0012
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0069 0.003
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0031 0.0036
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0608 0.0598
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0031 0.0036
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.052 0.0606
Loa Loa (eye worm) hypothetical protein 0.0052 0.0501 0.0583
Loa Loa (eye worm) hypothetical protein 0.0048 0.0439 0.0512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0501 0.0536
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.3245 0.3772
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0676 0.8587 1
Brugia malayi Bromodomain containing protein 0.0084 0.0908 0.1057
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.5
Leishmania major hypothetical protein, conserved 0.0017 0.0043 0.0082
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0421 0.528 1
Brugia malayi thymidylate synthase 0.013 0.1505 0.1753
Brugia malayi PHD-finger family protein 0.0028 0.0183 0.0213
Echinococcus multilocularis thymidylate synthase 0.013 0.1505 0.1496
Schistosoma mansoni intermediate filament proteins 0.003 0.0212 0.0198
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0148 0.0161
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0254 0.0247
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0342 0.0387
Brugia malayi Dihydrofolate reductase 0.0676 0.8587 1
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0512 0.0549
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0062 0.0623 0.1179
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0608 0.0697
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0421 0.528 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0212 0.0247
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0512 0.0585
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.1505 0.1711
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0421 0.528 1
Trichomonas vaginalis set domain proteins, putative 0.0264 0.3251 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2835 0.3301
Brugia malayi hypothetical protein 0.0264 0.3245 0.3779
Loa Loa (eye worm) hypothetical protein 0.0079 0.0846 0.0985
Trypanosoma cruzi ISWI complex protein 0.0017 0.0043 0.0082
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0676 0.8587 1
Echinococcus granulosus zinc finger protein 0.0022 0.0105 0.0111
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0148 0.0138
Echinococcus granulosus intermediate filament protein 0.003 0.0212 0.0236
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0686 0.0788
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0078 0.009
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.3245 0.3238
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0069 0.0068
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0212 0.0247
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0004
Onchocerca volvulus 0.013 0.1505 0.4255
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0758 0.0871
Onchocerca volvulus 0.0053 0.0512 0.0988
Schistosoma mansoni hypothetical protein 0.0054 0.052 0.0558
Brugia malayi mbt repeat family protein 0.0053 0.0512 0.0597
Echinococcus multilocularis zinc finger protein 0.0022 0.0105 0.0095
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0148 0.0123
Echinococcus granulosus thymidylate synthase 0.013 0.1505 0.1743
Schistosoma mansoni hypothetical protein 0.0023 0.0121 0.009
Echinococcus multilocularis musashi 0.003 0.0212 0.0202
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.021 0.2543 0.2535
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0512 0.0549
Onchocerca volvulus 0.0033 0.0254 0.0137
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0512 0.0549
Echinococcus granulosus dihydrofolate reductase 0.0676 0.8587 1
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.5
Onchocerca volvulus 0.0054 0.052 0.1013
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0512 0.0503
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0421 0.528 1
Onchocerca volvulus 0.0264 0.3251 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0412 0.0479
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0069 0.003
Echinococcus granulosus lamin 0.003 0.0212 0.0236
Schistosoma mansoni hypothetical protein 0.0072 0.0758 0.0836
Schistosoma mansoni zinc finger protein 0.0022 0.0105 0.0072
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0608 0.0697
Echinococcus granulosus endonuclease exonuclease phosphatase 0.021 0.2543 0.2953
Brugia malayi Pre-SET motif family protein 0.0232 0.2835 0.3301
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0254 0.0244
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0501 0.0491
Schistosoma mansoni hypothetical protein 0.0324 0.402 0.4654
Echinococcus multilocularis lamin 0.003 0.0212 0.0202
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0421 0.528 1
Schistosoma mansoni bromodomain containing protein 0.0071 0.0738 0.0813
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0512 0.0585
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0686 0.0677
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0254 0.0247
Brugia malayi dihydrofolate reductase family protein 0.0676 0.8587 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0608 0.0708
Loa Loa (eye worm) hypothetical protein 0.0264 0.3245 0.3779
Chlamydia trachomatis dihydrofolate reductase 0.0676 0.8587 0.5
Loa Loa (eye worm) MBCTL1 0.0061 0.0608 0.0708
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0608 0.0598
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0608 0.0661
Brugia malayi Bromodomain containing protein 0.0043 0.0376 0.0438
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0247
Schistosoma mansoni lamin 0.003 0.0212 0.0198
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.1505 0.1108
Trypanosoma brucei ISWI complex protein 0.0017 0.0043 0.0082
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0501 0.0536
Schistosoma mansoni survival motor neuron protein 0.0054 0.052 0.0558
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0342 0.0332
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0121 0.014
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0501 0.0572
Brugia malayi intermediate filament protein 0.003 0.0212 0.0247
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0069 0.0059
Echinococcus granulosus lamin dm0 0.003 0.0212 0.0236
Brugia malayi hypothetical protein 0.0062 0.0623 0.0725
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0238 0.0266
Loa Loa (eye worm) dihydrofolate reductase 0.0676 0.8587 1
Trypanosoma cruzi ISWI complex protein 0.0017 0.0043 0.0082
Mycobacterium ulcerans thymidylate synthase 0.013 0.1505 0.1753
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0676 0.8587 1
Brugia malayi hypothetical protein 0.0072 0.0758 0.0882
Echinococcus multilocularis dihydrofolate reductase 0.0676 0.8587 0.8585
Brugia malayi Pre-SET motif family protein 0.0033 0.0254 0.0296
Echinococcus multilocularis lamin dm0 0.003 0.0212 0.0202
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0512 0.0597
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0212 0.0247
Brugia malayi mbt repeat family protein 0.0053 0.0512 0.0597
Loa Loa (eye worm) hypothetical protein 0.0043 0.0377 0.0439
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0512 0.0503
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0758 0.0748

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.2007 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.482 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 7.9208 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 12 nM Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg) ChEMBL. 10395486
IC50 (binding) = 12 nM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 12 nM Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg) ChEMBL. 10395486
IC50 (binding) = 12 nM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 33 nM Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl) ChEMBL. 10395486
IC50 (binding) = 33 nM Inhibition of rat liver dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 33 nM Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl) ChEMBL. 10395486
IC50 (binding) = 33 nM Inhibition of rat liver dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 63 nM Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc) ChEMBL. 10395486
IC50 (binding) = 63 nM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 63 nM Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc) ChEMBL. 10395486
IC50 (binding) = 63 nM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 8230134
IC50 (binding) = 0.012 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.012 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.033 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.033 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.063 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (binding) = 0.063 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
IC50 (functional) = 0.2 uM Inhibitory concentration required to decrease cell viability in cell growth culture against leukemia cells CCRF-CEM ChEMBL. 8230134
IC50 (functional) = 0.2 uM Inhibitory concentration required to decrease cell viability in cell growth culture against leukemia cells CCRF-CEM ChEMBL. 8230134
IC50 (functional) > 100 uM Inhibitory concentration required to decrease cell viability in cell growth culture against breast carcinoma cells MCF-7 ChEMBL. 8230134
IC50 (functional) > 100 uM Inhibitory concentration required to decrease cell viability in cell growth culture against breast carcinoma cells MCF-7 ChEMBL. 8230134
Log IC50 (binding) = 7.2007 Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.4815 Inhibition of rat liver dihydrofolate reductase ChEMBL. 15743188
Log IC50 (binding) = 7.9208 Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 15743188
Ratio (binding) = 0.5 Ratio of inhibition of dihydrofolate reductase(DHFR) from rat(rl) liver and Pneumocystis carinii(pc) ChEMBL. 10395486
Ratio (binding) = 2.8 Ratio of inhibition of dihydrofolate reductase(DHFR) from rat(rl) liver and Toxoplasma gondii(tg) ChEMBL. 10395486

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 8230134

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

3 literature references were collected for this gene.

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