Detailed information for compound 55870

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 473.866 | Formula: C21H20ClN5O6
  • H donors: 6 H acceptors: 8 LogP: 2.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1ccc2c(c1Cl)c(O)nc(n2)N
  • InChi: 1S/C21H20ClN5O6/c22-17-11(3-6-13-16(17)19(31)27-21(23)26-13)9-24-12-4-1-10(2-5-12)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)
  • InChiKey: WYQHHZWQYMKJMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus 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
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
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis 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
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein 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 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
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative 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
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0059 0.0029
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0205 0.0536
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0059 0.5067
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.004 0.3384
Brugia malayi RNA binding protein 0.0066 0.0205 0.1045
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0113 0.2418
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0001 0.0061
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.004 0.3384
Brugia malayi hypothetical protein 0.0295 0.143 0.7979
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0113 0.2418
Onchocerca volvulus 0.0295 0.143 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0059 0.0113
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.009 0.0395
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0079 0.0275 0.7186
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1899 1 1
Entamoeba histolytica hypothetical protein 0.0108 0.0426 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.0197 0.489
Trypanosoma brucei glucosidase, putative 0.0035 0.004 0.0259
Loa Loa (eye worm) hypothetical protein 0.0069 0.0218 0.1116
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0247 0.1169 0.1601
Mycobacterium tuberculosis Probable reductase 0.0222 0.1036 0.1415
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.004 0.3384
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0535 0.2712 0.2835
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.004 0.0929
Leishmania major DNA polymerase eta, putative 0.0065 0.0197 0.489
Brugia malayi Dihydrofolate reductase 0.0208 0.096 0.5321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.009 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Schistosoma mansoni alpha glucosidase 0.0035 0.004 0.0055
Trichomonas vaginalis glutathione reductase, putative 0.0034 0.0031 0.2633
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.004 0.0108
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0034 0.0031 0.003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.0426 0.118
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.009 0.0201
Loa Loa (eye worm) hypothetical protein 0.0295 0.143 0.7979
Echinococcus granulosus dna polymerase eta 0.0065 0.0197 0.0513
Brugia malayi hypothetical protein 0.0108 0.0426 0.2298
Leishmania major hypothetical protein, conserved 0.0049 0.0113 0.2418
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.004 0.0259
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0117 0.2536
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.004 0.0929
Entamoeba histolytica hypothetical protein 0.0108 0.0426 1
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0059 0.0113
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.0275 0.1011
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.004 0.0111
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0117 0.0281
Trichomonas vaginalis MYB, putative 0.0028 0.0001 0.0061
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0535 0.2712 1
Echinococcus multilocularis geminin 0.0514 0.2599 0.7504
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0079 0.0275 0.7186
Echinococcus multilocularis dihydrofolate reductase 0.0208 0.096 0.2735
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0205 0.0536
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.004 0.3384
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0117 0.0546
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1899 1 1
Schistosoma mansoni hypothetical protein 0.0108 0.0426 0.118
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0113 0.2418
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0117 0.2536
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1899 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0117 0.0281
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0205 0.0536
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.004 0.3384
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0205 0.0536
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0222 0.1036 0.0123
Trypanosoma brucei unspecified product 0.0039 0.0059 0.0838
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0059 0.0838
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0208 0.096 0.0932
Entamoeba histolytica hypothetical protein 0.0108 0.0426 1
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0113 0.0414
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0059 0.1391
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.037 0.1018
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0059 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0021 0.0003
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.0702 0.1983
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0117 0.0281
Trypanosoma brucei protein kinase, putative 0.005 0.0117 0.2536
Schistosoma mansoni hypothetical protein 0.0514 0.2599 0.7504
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0079 0.0275 0.7186
Loa Loa (eye worm) hypothetical protein 0.012 0.0491 0.2663
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0117 1
Echinococcus granulosus dna polymerase kappa 0.0039 0.0059 0.0113
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.004 0.3384
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1364 0.7139 1
Giardia lamblia DINP protein human, muc B family 0.0039 0.0059 0.5038
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.004 0.3384
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Plasmodium vivax glutathione reductase, putative 0.0097 0.037 1
Brugia malayi MH2 domain containing protein 0.0362 0.1787 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0535 0.2712 0.2689
Giardia lamblia NADH oxidase lateral transfer candidate 0.0034 0.0031 0.259
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0034 0.0031 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0387 0.208
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0702 0.1983
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0117 0.0281
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0053 0.0193
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0059 0.0838
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0222 0.1036 0.1415
Echinococcus granulosus tar DNA binding protein 0.0066 0.0205 0.0536
Trypanosoma brucei DNA polymerase eta, putative 0.0065 0.0197 0.489
Brugia malayi Thioredoxin reductase 0.0097 0.037 0.1984
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0117 1
Brugia malayi glutathione reductase 0.0097 0.037 0.1984
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.037 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0197 0.0999
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.004 0.0055
Plasmodium falciparum thioredoxin reductase 0.0097 0.037 1
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.0426 0.118
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 0.1787 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0059 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.009 0.0201
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0113 0.2418
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0387 0.2077
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.0197 0.1001
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0247 0.1169 0.0337
Brugia malayi hypothetical protein 0.012 0.0491 0.2665
Brugia malayi dihydrofolate reductase family protein 0.0208 0.096 0.5321
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0218 0.1119
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.3456 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0117 0.2536
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0222 0.1036 0.1415
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0117 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.004 0.3384
Plasmodium falciparum glutathione reductase 0.0097 0.037 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0059 0.0113
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0222 0.1036 0.1415
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0117 0.0281
Schistosoma mansoni hypothetical protein 0.0514 0.2599 0.7504
Leishmania major DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Chlamydia trachomatis dihydrofolate reductase 0.0208 0.096 0.0932
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.009 0.0201
Leishmania major DNA polymerase eta, putative 0.0038 0.0053 0.0656
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0113 0.2418
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.037 0.0478
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Loa Loa (eye worm) hypothetical protein 0.012 0.0491 0.2663
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0059 0.0838
Trypanosoma brucei trypanothione reductase 0.0097 0.037 1
Brugia malayi TAR-binding protein 0.0066 0.0205 0.1045
Loa Loa (eye worm) transcription factor SMAD2 0.0362 0.1787 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.004 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0205 0.0536
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0034 0.0031 0.003
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0034 0.0031 0.0111
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0059 0.0838
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Echinococcus granulosus dihydrofolate reductase 0.0208 0.096 0.2735
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0117 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0702 0.1983
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0117 0.2536
Echinococcus multilocularis dna polymerase eta 0.0065 0.0197 0.0513
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0205 0.1043
Loa Loa (eye worm) hypothetical protein 0.0049 0.0113 0.0523
Schistosoma mansoni DNA polymerase eta 0.0065 0.0197 0.0513
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.0702 0.386
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0059 0.0113
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.0275 0.7186
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0113 0.2418
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.004 0.0143
Trichomonas vaginalis mercuric reductase, putative 0.0034 0.0031 0.2633
Toxoplasma gondii NADPH-glutathione reductase 0.0034 0.0031 0.0111
Echinococcus granulosus microtubule associated protein 2 0.0675 0.3456 1
Echinococcus granulosus geminin 0.0514 0.2599 0.7504
Brugia malayi hypothetical protein 0.0049 0.0113 0.0526
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.004 0.0259
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0034 0.0031 0.003
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0117 0.2536
Onchocerca volvulus Huntingtin homolog 0.012 0.0491 0.136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.009 0.0201
Onchocerca volvulus Huntingtin homolog 0.012 0.0491 0.136
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0059 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0205 0.0536
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.0426 0.118
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0205 0.1045
Mycobacterium tuberculosis Probable oxidoreductase 0.0247 0.1169 0.1601
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Schistosoma mansoni hypothetical protein 0.0069 0.0218 0.0574
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0222 0.1036 0.1415
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0205 0.1043
Brugia malayi MAP kinase sur-1 0.005 0.0117 0.0549
Leishmania major trypanothione reductase 0.0097 0.037 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0387 0.208
Schistosoma mansoni alpha-glucosidase 0.0137 0.0583 0.1638
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0079 0.0275 0.7186
Loa Loa (eye worm) dihydrofolate reductase 0.0208 0.096 0.532
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0117 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0021 0.0003
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0117 0.2536
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.004 0.3384
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.037 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0059 0.004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.0702 0.3858
Schistosoma mansoni alpha-glucosidase 0.0137 0.0583 0.1638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.009 0.0392
Entamoeba histolytica hypothetical protein 0.0108 0.0426 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0387 0.2077
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0001 0.0061
Loa Loa (eye worm) RNA binding protein 0.0066 0.0205 0.1043
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0117 0.0429
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Schistosoma mansoni dihydrofolate reductase 0.0208 0.096 0.2735
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.004 0.0259
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0535 0.2712 0.2689
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.009 0.0201
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.037 0.1018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0059 0.0113
Mycobacterium tuberculosis Probable dehydrogenase 0.0222 0.1036 0.1415
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0247 0.1169 0.1601
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0117 0.2536
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0208 0.096 0.1307
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.037 0.1981
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0059 0.0838
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.3456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.009 0.0201
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0059 0.5067
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0053 0.0656
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1364 0.7139 1
Loa Loa (eye worm) glutathione reductase 0.0097 0.037 0.1981
Toxoplasma gondii thioredoxin reductase 0.0097 0.037 0.1364
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0059 0.0219

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.1 uM Inhibition of human dihydrofolate reductase ChEMBL. 2738891
IC50 (binding) = 0.1 uM Inhibition of human dihydrofolate reductase ChEMBL. 2738891
Km (ADMET) = 0.3 uM Maximum rate of metabolism of the compound for hog liver folylpolyglutamate synthetase was evaluated ChEMBL. 2738891
Vmax (ADMET) = 68 Maximal elimination rate of metabolism of the compound for hog liver folylpolyglutamate synthetase was evaluated ChEMBL. 2738891

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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