Detailed information for compound 130833

Basic information

Technical information
  • TDR Targets ID: 130833
  • Name: 8-(3,4-dichlorophenyl)-7H-purine-2,6-diamine
  • MW: 295.127 | Formula: C11H8Cl2N6
  • H donors: 3 H acceptors: 3 LogP: 2.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)[nH]c(n2)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C11H8Cl2N6/c12-5-2-1-4(3-6(5)13)9-16-7-8(14)17-11(15)19-10(7)18-9/h1-3H,(H5,14,15,16,17,18,19)
  • InChiKey: GZDRYQKQDXYCQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-amino-8-(3,4-dichlorophenyl)-7H-purin-6-yl]amine
  • 2,6-Diamino-8-(3',4'-dichlorophenyl)purine
  • AIDS-081095
  • AIDS081095

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) 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
Brugia malayi 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
Brugia malayi dihydrofolate reductase family 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
Leishmania major 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
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus 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
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 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
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
Leishmania mexicana 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
Candida albicans 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
Plasmodium berghei bifunctional 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
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
Onchocerca volvulus 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
Mycobacterium ulcerans 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 yoelii thymidylate synthase, putative 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
Candida albicans hypothetical protein 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
Schistosoma mansoni 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
Theileria parva dihydrofolate reductase-thymidylate synthase, putative 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
Toxoplasma gondii bifunctional dihydrofolate reductase-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 leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 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
Leishmania infantum dihydrofolate reductase-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
Loa Loa (eye worm) 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
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 174 aa 32.8 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 217 aa 31.8 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 213 aa 31.5 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   206 aa 179 aa 28.5 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 174 aa 32.8 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 167 aa 29.9 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   206 aa 179 aa 27.4 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 218 aa 32.6 %
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 193 aa 29.5 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 188 aa 34.6 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   206 aa 188 aa 34.6 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 217 aa 33.2 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   206 aa 213 aa 29.6 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   206 aa 226 aa 29.2 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   206 aa 217 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0062 0.0238 0.2088
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0098 0.0232
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0245 0.0578
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0062 0.0238 0.2088
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0717 0.4236 1
Echinococcus granulosus dihydrofolate reductase 0.026 0.1449 0.3421
Leishmania major hypothetical protein, conserved 0.0062 0.0238 0.0562
Trypanosoma cruzi glycerol uptake protein, putative 0.0062 0.0238 0.0562
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0245 0.0578
Leishmania major guanosine monophosphate reductase 0.0717 0.4236 1
Trypanosoma brucei glycerol uptake protein, putative 0.0062 0.0238 0.0562
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0717 0.4236 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0062 0.0238 0.0562
Trypanosoma cruzi GMP reductase 0.0717 0.4236 1
Brugia malayi diacylglycerol acyltransferase 0.0062 0.0238 0.0562
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.0562
Trypanosoma cruzi lanosterol synthase, putative 0.0213 0.1162 0.2743
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0708 0.418 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0322 0.1825 0.3273
Trypanosoma cruzi lanosterol synthase, putative 0.0213 0.1162 0.2743
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0062 0.0238 0.0562
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0238 0.5823
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.013 0.0651 0.1038
Loa Loa (eye worm) RNA binding protein 0.0063 0.0245 0.0578
Loa Loa (eye worm) IMP dehydrogenase 1 0.0717 0.4236 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0014 0.0351
Echinococcus multilocularis dihydrofolate reductase 0.026 0.1449 0.1449
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0245 0.0245
Plasmodium vivax importin-beta 2, putative 0.0031 0.0051 0.0121
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0395 0.2271 0.4517
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0062 0.0238 0.0562
Chlamydia trachomatis dihydrofolate reductase 0.026 0.1449 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0062 0.0238 0.0562
Brugia malayi Importin beta-1 subunit 0.0031 0.0051 0.0119
Onchocerca volvulus 0.013 0.0651 0.27
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0262 0.1459 0.3444
Echinococcus multilocularis protein dispatched 1 0.0103 0.0487 0.0487
Brugia malayi MBOAT family protein 0.0062 0.0238 0.0562
Brugia malayi hypothetical protein 0.0039 0.0098 0.0232
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0262 0.1459 0.3444
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0717 0.4236 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0245 0.0578
Loa Loa (eye worm) hypothetical protein 0.021 0.1141 0.2694
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0051 0.0119
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0062 0.0238 0.0562
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0142 0.0725 0.1223
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0062 0.0238 0.0562
Loa Loa (eye worm) MBOAT family protein 0.0062 0.0238 0.0562
Echinococcus granulosus thymidylate synthase 0.013 0.0651 0.1537
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0238 0.5823
Loa Loa (eye worm) hypothetical protein 0.011 0.0533 0.1258
Entamoeba histolytica hypothetical protein 0.0062 0.0238 0.2088
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0717 0.4236 1
Brugia malayi MBOAT family protein 0.0062 0.0238 0.0562
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.0562
Echinococcus granulosus o acyltransferase membrane bound domain 0.0062 0.0238 0.0562
Trypanosoma brucei glycerol uptake protein, putative 0.0062 0.0238 0.0562
Entamoeba histolytica vacuolar protein sorting 26 0.0062 0.0238 0.2088
Echinococcus multilocularis expressed conserved protein 0.0197 0.1063 0.1063
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0098 0.0232
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0051 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.009 0.0409 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0708 0.418 1
Entamoeba histolytica hypothetical protein 0.0039 0.0098 0.0859
Trypanosoma brucei GMP reductase 0.0717 0.4236 1
Brugia malayi RNA, U transporter 1 0.0089 0.0404 0.0954
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0062 0.0238 0.0562
Entamoeba histolytica hypothetical protein, conserved 0.0062 0.0238 0.2088
Brugia malayi MBOAT family protein 0.0062 0.0238 0.0562
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.026 0.1449 0.3034
Treponema pallidum alginate O-acetylation protein (algI) 0.0062 0.0238 0.5
Schistosoma mansoni hypothetical protein 0.0062 0.0238 0.0562
Leishmania major glycerol uptake protein, putative 0.0062 0.0238 0.0562
Leishmania major importin beta-1 subunit, putative 0.0025 0.0014 0.0034
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.021 0.1141 1
Brugia malayi RNA binding protein 0.0063 0.0245 0.0578
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0262 0.1459 0.3444
Trypanosoma brucei lanosterol synthase 0.0213 0.1162 0.2743
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0062 0.0238 0.0562
Schistosoma mansoni hypothetical protein 0.0087 0.0389 0.0919
Echinococcus granulosus sterol regulatory element binding protein 0.009 0.0409 0.0966
Loa Loa (eye worm) hypothetical protein 0.009 0.0409 0.0966
Brugia malayi MBOAT family protein 0.0062 0.0238 0.0562
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0717 0.4236 1
Brugia malayi MBOAT family protein 0.0062 0.0238 0.0562
Onchocerca volvulus Putative GMP reductase 0.0313 0.1768 1
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0322 0.1825 0.3273
Leishmania major glycerol uptake protein, putative 0.0062 0.0238 0.0562
Loa Loa (eye worm) MBOAT family protein 0.0062 0.0238 0.0562
Leishmania major lanosterol synthase, putative 0.0213 0.1162 0.2743
Leishmania major glycerol uptake protein, putative 0.0062 0.0238 0.0562
Echinococcus granulosus sterol O acyltransferase 1 0.0636 0.3743 0.8834
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0717 0.4236 1
Leishmania major glycerol uptake protein, putative 0.0062 0.0238 0.0562
Loa Loa (eye worm) dihydrofolate reductase 0.026 0.1449 0.3421
Trichomonas vaginalis porcupine, putative 0.0062 0.0238 0.5823
Echinococcus multilocularis Niemann Pick C1 protein 0.03 0.1691 0.1691
Loa Loa (eye worm) MBOAT family protein 0.0062 0.0238 0.0562
Trichomonas vaginalis transmembrane protein nessy, putative 0.0062 0.0238 0.5823
Loa Loa (eye worm) hypothetical protein 0.0636 0.3743 0.8834
Echinococcus multilocularis protein patched 0.009 0.0409 0.0409
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0717 0.4236 0.4236
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0062 0.0238 0.0562
Schistosoma mansoni zinc finger protein 0.0062 0.0238 0.0562
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0708 0.418 0.9842
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0245 0.0578
Entamoeba histolytica hypothetical protein 0.0039 0.0098 0.0859
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0236 0.5764
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0262 0.1459 0.3444
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0062 0.0238 0.0562
Schistosoma mansoni sterol O-acyltransferase 1 0.0636 0.3743 0.8834
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0245 0.0578
Loa Loa (eye worm) GMP reductase 0.0313 0.1768 0.4173
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0062 0.0238 0.0238
Trypanosoma cruzi GMP reductase 0.0717 0.4236 1
Brugia malayi Hhat protein 0.0062 0.0238 0.0562
Brugia malayi hypothetical protein 0.0062 0.0236 0.0557
Leishmania major inosine-5-monophosphate dehydrogenase 0.0717 0.4236 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0014 0.0351
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0717 0.4236 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0636 0.3743 0.3743
Loa Loa (eye worm) thymidylate synthase 0.013 0.0651 0.1537
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0717 0.4236 1
Toxoplasma gondii hypothetical protein 0.0062 0.0238 0.0562
Brugia malayi CHE-14 protein 0.009 0.0409 0.0966
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0051 0.0119
Trypanosoma cruzi GUP1, putative 0.0062 0.0238 0.0562
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0062 0.0238 0.0238
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0062 0.0238 0.0562
Toxoplasma gondii IMP dehydrogenas 0.0717 0.4236 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0062 0.0238 0.057
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0313 0.1768 0.4173
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0014 0.0351
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0062 0.0238 0.0562
Trypanosoma cruzi GUP1, putative 0.0062 0.0238 0.0562
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0395 0.2271 0.5086
Echinococcus multilocularis sterol regulatory element binding protein 0.009 0.0409 0.0409
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0238 0.5823
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.026 0.1449 0.2226
Echinococcus granulosus Protein patched homolog 1 0.009 0.0409 0.0966
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0717 0.4236 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0062 0.0238 0.0238
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0051 0.0051
Leishmania major glycerol uptake protein, putative 0.0062 0.0238 0.0562
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0062 0.0238 0.057
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.009 0.0409 0.0966
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0062 0.0238 0.0562
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0062 0.0238 0.0238
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0213 0.1161 0.2741
Entamoeba histolytica hypothetical protein 0.0039 0.0098 0.0859
Entamoeba histolytica hypothetical protein 0.0039 0.0098 0.0859
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0262 0.1459 0.3491
Schistosoma mansoni hypothetical protein 0.0087 0.0389 0.0919
Schistosoma mansoni hypothetical protein 0.0087 0.0389 0.0919
Plasmodium falciparum importin beta, putative 0.0031 0.0051 0.0121
Brugia malayi Dihydrofolate reductase 0.026 0.1449 0.3421
Schistosoma mansoni hypothetical protein 0.0039 0.0098 0.0232
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0313 0.1768 0.4173
Brugia malayi GMP reductase 0.0313 0.1768 0.4173
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0245 0.0578
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0262 0.1459 0.3491
Echinococcus multilocularis thymidylate synthase 0.013 0.0651 0.0651
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0245 0.0578
Trypanosoma cruzi glycerol uptake protein, putative 0.0062 0.0238 0.0562
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0062 0.0238 0.0238
Brugia malayi TAR-binding protein 0.0063 0.0245 0.0578
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.013 0.0651 0.1537
Echinococcus multilocularis Niemann Pick C1 protein 0.021 0.1141 0.1141
Entamoeba histolytica hypothetical protein 0.0025 0.0014 0.0126
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0062 0.0238 0.0238
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0062 0.0238 0.0238
Brugia malayi thymidylate synthase 0.013 0.0651 0.1537
Schistosoma mansoni hypothetical protein 0.0335 0.1905 0.4497
Echinococcus granulosus tar DNA binding protein 0.0063 0.0245 0.0578
Loa Loa (eye worm) hhat protein 0.0062 0.0238 0.0562
Brugia malayi Niemann-Pick C1 protein precursor 0.021 0.1141 0.2694
Loa Loa (eye worm) hypothetical protein 0.0574 0.3363 0.7939
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0014 0.0034
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0062 0.0238 0.0562
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0335 0.1905 0.4497
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0062 0.0238 0.0238
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0062 0.0238 0.0562
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0062 0.0238 0.2088
Schistosoma mansoni dihydrofolate reductase 0.026 0.1449 0.3421
Echinococcus granulosus Niemann Pick C1 protein 0.03 0.1691 0.3993
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.0562
Echinococcus granulosus o acyltransferase membrane bound domain 0.0062 0.0238 0.0562
Echinococcus granulosus importin subunit beta 1 0.0031 0.0051 0.0119
Echinococcus granulosus expressed conserved protein 0.0197 0.1063 0.251
Echinococcus granulosus Niemann Pick C1 protein 0.021 0.1141 0.2694
Echinococcus multilocularis snurportin 1 0.0335 0.1905 0.1905
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0245 0.0578
Echinococcus granulosus snurportin 1 0.0335 0.1905 0.4497
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0717 0.4236 1
Schistosoma mansoni patched 1 0.009 0.0409 0.0966
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.026 0.1449 0.2226
Schistosoma mansoni importin beta-1 0.0031 0.0051 0.0119
Trypanosoma cruzi glycerol uptake protein, putative 0.0062 0.0238 0.0562
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0098 0.0098
Echinococcus granulosus o acyltransferase membrane bound domain 0.0062 0.0238 0.0562
Schistosoma mansoni hypothetical protein 0.0087 0.0389 0.0919
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0062 0.0236 0.0557
Brugia malayi dihydrofolate reductase family protein 0.026 0.1449 0.3421
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0717 0.4236 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0051 0.0119
Loa Loa (eye worm) hhat protein 0.0062 0.0238 0.0562

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.6 Inhibition of rat liver DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 5.17 Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 6.7 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 6.7 uM Inhibition of Toxoplasma gondii dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 6.7 uM Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay ChEMBL. 20117005
IC50 (binding) = 19.5 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 19.5 uM Inhibition of Pneumocystis carinii dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 20 uM In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. ChEMBL. 11754594
IC50 (binding) = 20 uM In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase. ChEMBL. 11754594
IC50 (binding) = 252 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 252 uM Inhibition of rat liver dihydrofolate reductase ChEMBL. 9301665
IC50 (binding) = 252 uM Inhibition of rat liver DHFR by spectrophotometric assay ChEMBL. 20117005
Selectivity ratio (binding) = 13 Relative binding affinity for rat liver and Pneumocystis carinii DHFR ChEMBL. 9301665
Selectivity ratio (binding) = 38 Relative binding affinity to rat liver and Toxoplasma gondii DHFR. ChEMBL. 9301665
SI (binding) = 13 Selective index of the compound against P. carinii versus rat DHFR ChEMBL. 11754594
SI (binding) = 13 Selective index of the compound against P. carinii versus rat DHFR ChEMBL. 11754594

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

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.