Detailed information for compound 82084

Basic information

Technical information
  • TDR Targets ID: 82084
  • Name: [(3,5-dichloroanilino)-phosphonomethyl]phosph onic acid
  • MW: 336.003 | Formula: C7H9Cl2NO6P2
  • H donors: 5 H acceptors: 6 LogP: -0.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(NC(P(=O)(O)O)P(=O)(O)O)cc(c1)Cl
  • InChi: 1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
  • InChiKey: ALPQLQJFTUXTFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(3,5-dichloroanilino)-phosphono-methyl]phosphonic acid
  • [[(3,5-dichlorophenyl)amino]-phosphono-methyl]phosphonic acid
  • [[(3,5-dichlorophenyl)amino]-phosphonomethyl]phosphonic acid
  • 195000-01-2
  • NSC722628
  • [[(3,5-dichlorophenyl)amino]methylene]-1,1-bisphosphonate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Arabidopsis thaliana Pyrroline-5-carboxylate reductase Starlite/ChEMBL References
Zea mays Glutamine synthetase, chloroplastic Starlite/ChEMBL References
Oryza sativa Os04g0659100 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis pyrroline 5 carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Trichomonas vaginalis pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma brucei pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania braziliensis glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Schistosoma japonicum ko:K00286 pyrroline-5-carboxylate reductase [EC1.5.1.2], putative Get druggable targets OG5_126801 All targets in OG5_126801
Cryptosporidium parvum pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania mexicana pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Echinococcus multilocularis glutamine synthetase Get druggable targets OG5_127569 All targets in OG5_127569
Leishmania major pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Plasmodium yoelii pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Plasmodium knowlesi pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Candida albicans likely glutamine synthetase similar to S. cerevisiae GLN1 (YPR035W) Get druggable targets OG5_127569 All targets in OG5_127569
Trypanosoma cruzi pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma brucei gambiense glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Plasmodium berghei pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Candida albicans likely glutamine synthetase similar to S. cerevisiae GLN1 (YPR035W) Get druggable targets OG5_127569 All targets in OG5_127569
Trypanosoma brucei gambiense pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Brugia malayi pyrroline-5-carboxylate reductase family protein Get druggable targets OG5_126801 All targets in OG5_126801
Schistosoma mansoni pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Brugia malayi glutamine synthetase Get druggable targets OG5_127569 All targets in OG5_127569
Cryptosporidium hominis pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Schistosoma japonicum ko:K01915 glutamine synthetase [EC6.3.1.2], putative Get druggable targets OG5_127569 All targets in OG5_127569
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma cruzi pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Mycobacterium tuberculosis Probable pyrroline-5-carboxylate reductase ProC (P5CR) (P5C reductase) Get druggable targets OG5_126801 All targets in OG5_126801
Mycobacterium ulcerans pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma brucei glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Trichomonas vaginalis pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma congolense glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Candida albicans Delta-1-pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania donovani glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Candida albicans Delta-1-pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania braziliensis pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania mexicana glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Treponema pallidum 1-pyrroline-5-carboxylate reductase (proC) Get druggable targets OG5_126801 All targets in OG5_126801
Echinococcus granulosus pyrroline 5 carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Echinococcus granulosus glutamine synthetase Get druggable targets OG5_127569 All targets in OG5_127569
Trypanosoma congolense pyrroline-5-carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania infantum glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) Get druggable targets OG5_127569 All targets in OG5_127569
Trypanosoma cruzi glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Toxoplasma gondii pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Plasmodium vivax pyrroline carboxylate reductase, putative Get druggable targets OG5_126801 All targets in OG5_126801
Trypanosoma cruzi glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Plasmodium falciparum pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania donovani pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania infantum pyrroline-5-carboxylate reductase Get druggable targets OG5_126801 All targets in OG5_126801
Mycobacterium leprae PROBABLE PYRROLINE-5-CARBOXYLATE REDUCTASE PROC (P5CR) (P5C REDUCTASE) Get druggable targets OG5_126801 All targets in OG5_126801
Leishmania major glutamine synthetase, putative Get druggable targets OG5_127569 All targets in OG5_127569
Neospora caninum Pyrroline-5-carboxylate reductase (EC 1.5.1.2), related Get druggable targets OG5_126801 All targets in OG5_126801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii glutamine synthetase, type I, putative Os04g0659100 428 aa 343 aa 22.7 %
Neospora caninum Glutamine synthetase (EC 6.3.1.2), related Glutamine synthetase, chloroplastic   423 aa 346 aa 23.1 %
Toxoplasma gondii glutamine synthetase, type I, putative Glutamine synthetase, chloroplastic   423 aa 342 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0085 0.1671 0.1409
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.1671 0.3301
Trichomonas vaginalis pyrroline-5-carboxylate reductase, putative 0.0037 0.0534 0.013
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0524 0.0969
Echinococcus multilocularis adenylate cyclase 9 0.0158 0.3384 0.5459
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0524 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1129 0.1802
Mycobacterium ulcerans lipase LipD 0.0037 0.0524 0.0845
Onchocerca volvulus 0.0037 0.0524 0.0227
Toxoplasma gondii glutamine synthetase, type I, putative 0.0177 0.3851 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0524 0.0533
Echinococcus multilocularis pyrroline 5 carboxylate reductase 0.0037 0.0534 0.0838
Loa Loa (eye worm) beta-lactamase 0.0037 0.0524 0.0533
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0704 0.1113
Brugia malayi RNA binding protein 0.0062 0.1129 0.2231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0704 0.1113
Loa Loa (eye worm) hypothetical protein 0.0028 0.0305 0.031
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0276 0.6183 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0704 0.1113
Brugia malayi beta-lactamase family protein 0.0037 0.0524 0.1036
Echinococcus multilocularis lamin dm0 0.0028 0.0305 0.0465
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0177 0.3851 0.7335
Entamoeba histolytica glutamine synthetase, putative 0.007 0.1298 1
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0217 0.0324
Loa Loa (eye worm) Gln-2 protein 0.0177 0.3851 0.3914
Trypanosoma brucei pyrroline-5-carboxylate reductase, putative 0.0037 0.0534 0.0838
Brugia malayi isocitrate dehydrogenase 0.0016 0.0018 0.0035
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0524 0.0845
Brugia malayi intermediate filament protein 0.0028 0.0305 0.0602
Trypanosoma cruzi pyrroline-5-carboxylate reductase, putative 0.0037 0.0534 0.0838
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0158 0.3384 0.3176
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0524 0.0845
Onchocerca volvulus 0.0037 0.0524 0.0227
Loa Loa (eye worm) hypothetical protein 0.0037 0.0534 0.0543
Brugia malayi glutamine synthetase 0.0098 0.198 0.3912
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1129 0.1802
Trypanosoma cruzi glutamine synthetase, putative 0.0276 0.6183 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0217 0.0521
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0489 0.0765
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0524 0.0822
Plasmodium falciparum glutamine synthetase, putative 0.0177 0.3851 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0489 0.0765
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1129 0.1802
Mycobacterium ulcerans hypothetical protein 0.007 0.1298 0.2973
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0524 0.0969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0704 0.1113
Brugia malayi Adenylyl cyclase protein 0.0158 0.3384 0.6685
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0305 0.031
Echinococcus granulosus lamin 0.0028 0.0305 0.0465
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0305 0.0602
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Plasmodium vivax pyrroline carboxylate reductase, putative 0.0037 0.0534 0.1348
Brugia malayi hypothetical protein 0.0035 0.0489 0.0967
Brugia malayi TAR-binding protein 0.0062 0.1129 0.2231
Loa Loa (eye worm) hypothetical protein 0.0158 0.3384 0.3438
Plasmodium vivax glutamine synthetase, putative 0.0177 0.3851 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0704 0.1113
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0524 0.0822
Onchocerca volvulus 0.0037 0.0524 0.0227
Toxoplasma gondii pyrroline-5-carboxylate reductase 0.002 0.013 0.0291
Mycobacterium tuberculosis Conserved protein 0.0037 0.0524 0.0969
Trichomonas vaginalis glutamine synthetase, putative 0.007 0.1298 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0305 0.031
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.007 0.1298 0.2449
Echinococcus multilocularis glutamine synthetase 0.0276 0.6183 1
Echinococcus granulosus lamin dm0 0.0028 0.0305 0.0465
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1129 0.1802
Mycobacterium ulcerans glutamine synthetase 0.0177 0.3851 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.5062 0.5144
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Schistosoma mansoni hypothetical protein 0.0035 0.0489 0.0765
Onchocerca volvulus 0.0158 0.3384 0.3176
Mycobacterium tuberculosis Conserved protein 0.0037 0.0524 0.0969
Onchocerca volvulus 0.0151 0.3225 0.3012
Trypanosoma brucei glutamine synthetase, putative 0.0276 0.6183 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0305 0.0465
Loa Loa (eye worm) hypothetical protein 0.0085 0.1671 0.1698
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0524 0.0969
Schistosoma mansoni lamin 0.0028 0.0305 0.0465
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.1671 0.2682
Echinococcus multilocularis lamin 0.0028 0.0305 0.0465
Loa Loa (eye worm) RNA binding protein 0.0062 0.1129 0.1147
Schistosoma mansoni lamin 0.0028 0.0305 0.0465
Mycobacterium leprae PROBABLE PYRROLINE-5-CARBOXYLATE REDUCTASE PROC (P5CR) (P5C REDUCTASE) 0.0037 0.0534 0.0872
Echinococcus granulosus pyrroline 5 carboxylate reductase 0.0037 0.0534 0.0838
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1129 0.1802
Entamoeba histolytica hypothetical protein 0.0035 0.0489 0.2518
Brugia malayi beta-lactamase 0.0037 0.0524 0.1036
Leishmania major pyrroline-5-carboxylate reductase 0.0037 0.0534 0.0838
Schistosoma mansoni glutamine synthetase bacteria 0.007 0.1298 0.2076
Toxoplasma gondii ABC1 family protein 0.0037 0.0524 0.1321
Loa Loa (eye worm) adenylyl cyclase 3 0.0158 0.3384 0.3438
Echinococcus granulosus adenylate cyclase 9 0.0158 0.3384 0.5459
Schistosoma mansoni intermediate filament proteins 0.0028 0.0305 0.0465
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0177 0.3851 1
Brugia malayi pyrroline-5-carboxylate reductase family protein 0.0037 0.0534 0.1056
Leishmania major hypothetical protein, conserved 0.0037 0.0524 0.0822
Entamoeba histolytica glutamine synthetase, putative 0.007 0.1298 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0524 0.0533
Echinococcus granulosus geminin 0.0167 0.3609 0.5825
Echinococcus granulosus tar DNA binding protein 0.0062 0.1129 0.1802
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0524 0.0969
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.1671 0.2682
Mycobacterium ulcerans beta-lactamase 0.0037 0.0524 0.0845
Trypanosoma cruzi pyrroline-5-carboxylate reductase, putative 0.0037 0.0534 0.0838
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0524 0.0822
Leishmania major glutamine synthetase, putative 0.0276 0.6183 1
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.007 0.1298 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1129 0.1802
Toxoplasma gondii pyrroline-5-carboxylate reductase 0.0037 0.0534 0.1348
Echinococcus granulosus glutamine synthetase 0.0276 0.6183 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0018 0.0035
Echinococcus multilocularis geminin 0.0167 0.3609 0.5825
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0217 0.0521
Mycobacterium tuberculosis Conserved protein 0.0037 0.0524 0.0969
Echinococcus multilocularis musashi 0.0028 0.0305 0.0465
Loa Loa (eye worm) hypothetical protein 0.043 0.9841 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1129 0.1147
Entamoeba histolytica hypothetical protein 0.0035 0.0489 0.2518
Schistosoma mansoni pyrroline-5-carboxylate reductase 0.0029 0.0344 0.0529
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0217 0.0521
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0524 0.1321
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0704 0.1113
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0524 0.0822
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0217 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0524 0.0822
Brugia malayi beta-lactamase family protein 0.0037 0.0524 0.1036
Entamoeba histolytica hypothetical protein 0.0035 0.0489 0.2518
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1129 0.2231
Schistosoma mansoni glutamine synthetase bacteria 0.007 0.1298 0.2076
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0489 0.0765
Schistosoma mansoni hypothetical protein 0.0167 0.3609 0.5825
Onchocerca volvulus Glutamine synthetase homolog 0.0177 0.3851 0.3658
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0704 0.1113
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0217 0.0521
Trichomonas vaginalis pyrroline-5-carboxylate reductase, putative 0.0037 0.0534 0.013
Mycobacterium ulcerans pyrroline-5-carboxylate reductase 0.0037 0.0534 0.0872
Entamoeba histolytica hypothetical protein 0.0035 0.0489 0.2518
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0524 0.0822
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0217 0.0324
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0018 0.0018
Mycobacterium ulcerans hypothetical protein 0.0037 0.0524 0.0845
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0524 0.0969
Treponema pallidum 1-pyrroline-5-carboxylate reductase (proC) 0.0037 0.0534 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0524 0.0969
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0524 0.0845
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.5244 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0524 0.0845
Brugia malayi follicle stimulating hormone receptor 0.0228 0.5062 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0524 0.1036
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.007 0.1298 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0704 0.0716
Loa Loa (eye worm) hypothetical protein 0.0027 0.0293 0.0297
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1129 0.1147
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0177 0.3851 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.1671 0.2682
Mycobacterium tuberculosis Probable pyrroline-5-carboxylate reductase ProC (P5CR) (P5C reductase) 0.0037 0.0534 0.0988
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0704 0.1391
Plasmodium falciparum pyrroline-5-carboxylate reductase 0.0037 0.0534 0.1348
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0217 0.0382
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0524 0.0969
Schistosoma mansoni hypothetical protein 0.0167 0.3609 0.5825
Trypanosoma cruzi glutamine synthetase, putative 0.0276 0.6183 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.57 % Effect on amino acid pool in Oryza sativa cv. Gigante vercellese (rice) cells assessed as aspartic acid content per gram freshweight of culture at 0.5 mM after 48 hr (Rvb = 1.10 +/- 0.26 umol) ChEMBL. 15161194
Activity (binding) = 28 % Inhibition of Arabidopsis thaliana P5C reductase catalytic activity assessed as residual concentration of enzyme at 535 nm OD at 0.5 mM by P5C utilization assay ChEMBL. 17474756
Activity (binding) = 37.7 % Inhibition of Arabidopsis thaliana P5C reductase catalytic activity assessed as inhibition of NADPH oxidation at 340 nm OD at 0.2 mM by NADPH oxidation assay ChEMBL. 17474756
GI50 (functional) = 0.24 mM Growth inhibition of Arabidopsis thaliana suspension cultured cells assessed as reduction in dry weight increase measured 8 days after compound incubation ChEMBL. 18399639
IC50 (binding) = 4.114 Inhibition of Arabidopsis thaliana P5C assessed as reduction in NADH oxidation incubated at 35 degC up to 10 min ChEMBL. 18399639
IC50 (binding) = 5.119 Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutamate as substrate assessed as inorganic phosphate production after 20 min by malachite green assay relative to control ChEMBL. 19697446
IC50 (binding) = 0.033 mM Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase assessed as inhibition of glutamine synthesis from glutamic acid after 15 min by biosynthetic assay ChEMBL. 15161194
IC50 (binding) = 0.077 mM Inhibition of Arabidopsis thaliana P5C assessed as reduction in NADH oxidation incubated at 35 degC up to 10 min ChEMBL. 18399639
IC50 (binding) = 0.088 mM Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase after 30 min by hemibiosynthetic assay ChEMBL. 15161194
IC50 (binding) = 0.077 uM Inhibition of Arabidopsis thaliana P5C reductase catalytic activity ChEMBL. 17474756
IC50 (binding) = 0.396 uM Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase by transferase assay ChEMBL. 15161194
IC50 (binding) = 7.6 uM Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutamate as substrate assessed as inorganic phosphate production after 20 min by malachite green assay relative to control ChEMBL. 19697446
IC50 (binding) = 30 uM Inhibition of glutamine synthetase in Nicotiana tabacum (tobacco) cells ChEMBL. 17474756
IC50 (binding) = 30 uM Inhibition of Spinacia oleracea (spinach) glutamine synthetase activity ChEMBL. 17474756
IC50 (binding) = 33 uM Inhibition of Oryza sativa (rice) glutamine synthetase ChEMBL. 18399639
IC50 (functional) > 200 uM In vitro growth inhibition against Entamoeba histolytica ChEMBL. 14695831
IC50 (functional) > 200 uM In vitro growth inhibition against Plasmodium falciparum ChEMBL. 14695831
IC50 (functional) > 200 uM In vitro growth inhibition against Entamoeba histolytica ChEMBL. 14695831
IC50 (functional) > 200 uM In vitro growth inhibition against Plasmodium falciparum ChEMBL. 14695831
IC50 (functional) = 200 uM Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IC50 (functional) = 200 uM Antimicrobial activity against Entamoeba histolytica ChEMBL. 20185316
Inhibition (binding) = 3.1 % Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase assessed as inhibition of glutamine synthesis from glutamic acid at 1 mM after 15 min by biosynthetic assay ChEMBL. 15161194
Inhibition (binding) = 13.1 % Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase at 1 mM after 30 min by hemibiosynthetic assay ChEMBL. 15161194
Inhibition (binding) = 38.1 % Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase at 1 mM by transferase assay ChEMBL. 15161194
Inhibition (binding) = 86.3 % Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutamate as substrate assessed as inorganic phosphate production at 1 mM after 20 min by malachite green assay relative to control ChEMBL. 19697446
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
IZ (functional) = 8 mm Antibacterial activity against Escherichia coli pTMV19 in presence of mevalonate ChEMBL. 17149863
IZ (functional) = 8 mm Antibacterial activity against Escherichia coli pTMV19 in presence of mevalonate ChEMBL. 17149863
IZ (functional) = 10 mm Antibacterial activity against Escherichia coli pTMV19 ChEMBL. 17149863
IZ (functional) = 10 mm Antibacterial activity against Escherichia coli pTMV19 ChEMBL. 17149863
Ki (binding) = 6.4 uM Un-competitive inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using ATP as substrate Lineweaver-Burk plot analysis ChEMBL. 19697446
Ki (binding) = 7.2 uM Non-competitive inhibition of Zea mays cv. Jeff( maize) leaf glutamine synthetase using L-glutamate as substrate Lineweaver-Burk plot analysis ChEMBL. 19697446
Ki (binding) = 10.3 uM Uncompetitive inhibition of Arabidopsis thaliana P5C reductase by Dixon plot ChEMBL. 17474756
Ki (binding) = 199 uM Noncompetitive inhibition of Arabidopsis thaliana P5C reductase by Lineweaver-Burk plot ChEMBL. 17474756
Ki (binding) = 230 uM Noncompetitive inhibition of Arabidopsis thaliana P5C reductase by Lineweaver-Burk plot in presence of NADPH ChEMBL. 17474756
LD50 (ADMET) = 314 uM Toxicity evaluated against human nasopharyngeal carcinoma KB cell line ChEMBL. 14695831
LD50 (ADMET) = 314 uM Toxicity evaluated against human nasopharyngeal carcinoma KB cell line ChEMBL. 14695831

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

5 literature references were collected for this gene.

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