Detailed information for compound 326368

Basic information

Technical information
  • TDR Targets ID: 326368
  • Name: 3-(formyl-hydroxyamino)propylphosphonic acid
  • MW: 183.1 | Formula: C4H10NO5P
  • H donors: 3 H acceptors: 5 LogP: -1.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(CCCP(=O)(O)O)O
  • InChi: 1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
  • InChiKey: GJXWDTUCERCKIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Fosmidomycin
  • 3-[formyl(hydroxy)amino]propylphosphonic acid
  • 3-[hydroxy(methanoyl)amino]propylphosphonic acid
  • 3-(formyl-hydroxy-amino)propylphosphonic acid
  • 3-(hydroxy-methanoyl-amino)propylphosphonic acid
  • 66508-37-0 (MONOHYDROCHLORIDE SALT)
  • AIDS091712
  • FR-31564
  • CPD0-441
  • FOM
  • NChemBio.2007.9-comp4
  • (3-(Formylhydroxyamino)propyl)phosphonic acid, monosodium salt
  • (3-(N-Hydroxyformamido)propyl)phosphonic acid
  • Fosmidomycin [INN]
  • Fosmidomycina [INN-Spanish]
  • Fosmidomycine [INN-French]
  • Fosmidomycinum [INN-Latin]
  • AIDS-091712
  • 3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras References
Synechocystis sp. (strain PCC 6803 / Kazusa) 1-deoxyxylulose-5-phosphate reductoisomerase Starlite/ChEMBL References
Escherichia coli 1-deoxy-D-xylulose 5-phosphate reductoisomerase Starlite/ChEMBL References
Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) 1-deoxy-D-xylulose 5-phosphate reductoisomerase Starlite/ChEMBL References
Arabidopsis thaliana 1-deoxy-D-xylulose 5-phosphate reductoisomerase Starlite/ChEMBL References
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis 1-deoxy-D-xylulose 5-phosphate reductoisomerase family protein Get druggable targets OG5_130462 All targets in OG5_130462
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Plasmodium knowlesi 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Theileria parva 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Plasmodium berghei 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
Neospora caninum 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative Get druggable targets OG5_130462 All targets in OG5_130462
Plasmodium yoelii 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS Get druggable targets OG5_130462 All targets in OG5_130462
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras Get druggable targets OG5_130462 All targets in OG5_130462
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase Get druggable targets OG5_130462 All targets in OG5_130462
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Echinococcus granulosus allatostatin A receptor 0.0023 0.005 0.8807
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0023 0.005 0.7798
Echinococcus granulosus hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni amine GPCR 0.0023 0.005 0.7798
Echinococcus multilocularis somatostatin receptor 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus granulosus neuropeptide s receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3099 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0023 0.005 0.8807
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0023 0.005 0.7798
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0023 0.005 0.8807
Brugia malayi G-protein coupled receptor 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.005 0.8807
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.1125 0.3616 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Echinococcus granulosus fmrfamide receptor 0.0023 0.005 0.8807
Echinococcus granulosus g-protein coupled receptor 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.005 0.7798
Brugia malayi GnHR receptor homolog 0.0023 0.005 0.8807
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0023 0.005 0.8807
Brugia malayi Dopamine receptor protein 1 0.0023 0.005 0.8807
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0023 0.005 0.8807
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.005 0.8807
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.005 0.7798
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.005 0.8807
Schistosoma mansoni amine GPCR 0.0023 0.005 0.7798
Onchocerca volvulus 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni amine GPCR 0.0023 0.005 0.7798
Echinococcus granulosus orexin receptor type 2 0.0023 0.005 0.8807
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0023 0.005 0.8807
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.005 0.7798
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0023 0.005 0.8807
Brugia malayi putative neuropeptide receptor 0.0023 0.005 0.8807
Echinococcus granulosus neuropeptide receptor 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine receptor 0.0023 0.005 0.7798
Echinococcus granulosus neuropeptide receptor 0.0023 0.005 0.8807
Brugia malayi follicle stimulating hormone receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) neuropeptide F receptor 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0.005 0.8807
Echinococcus multilocularis g protein coupled receptor 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Brugia malayi ORL1-like opioid receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus peptide allatostatin:somatostatin 0.0023 0.005 0.8807
Echinococcus granulosus somatostatin receptor 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptide receptor 0.0023 0.005 0.8807
Schistosoma mansoni alpha-1 adrenergic receptor 0.0023 0.005 0.7798
Onchocerca volvulus 0.0023 0.005 0.5
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Brugia malayi neuropeptide F receptor 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus multilocularis sex peptide receptor 0.0023 0.005 0.8807
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0064 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Brugia malayi neuropeptide F receptor 0.0023 0.005 0.8807
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus g protein coupled receptor 0.0023 0.005 0.8807
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0057 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.3099 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0023 0.005 0.8807
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.3099 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Brugia malayi G protein-coupled receptor F59B2.13 0.0023 0.005 0.8807
Brugia malayi larval opioid receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.005 0.7798
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0.005 0.7798
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0023 0.005 0.8807
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.005 0.8807
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0023 0.005 0.8807
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0023 0.005 0.8807
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptide receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Brugia malayi sulfakinin receptor protein 0.0023 0.005 0.8807
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3099 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0023 0.005 0.8807
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0023 0.005 0.8807
Schistosoma mansoni histamine h1 receptor 0.0023 0.005 0.7798
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus granulosus g protein coupled receptor 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0023 0.005 0.8807
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0025 0.0057 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) G-protein coupled receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus tachykinin peptides receptor 99D 0.0023 0.005 0.8807
Echinococcus multilocularis serotonin receptor 0.0023 0.005 0.8807
Echinococcus multilocularis g-protein coupled receptor 0.0023 0.005 0.8807
Schistosoma mansoni opsin-like receptor 0.0023 0.005 0.7798
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis fmrfamide receptor 0.0023 0.005 0.8807
Brugia malayi Serotonin receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0.005 0.8807
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3099 1 0.5
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.3099 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0023 0.005 0.8807
Echinococcus multilocularis G-protein coupled receptor, putative 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0064 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Brugia malayi putative neuropeptide receptor NPR1 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis dro:myosuppressin receptor 0.0023 0.005 0.8807
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine receptor 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus alpha 1A adrenergic receptor 0.0023 0.005 0.8807
Brugia malayi Melatonin receptor type 1A 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis fmrfamide receptor 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0023 0.005 0.7798
Schistosoma mansoni amine GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus dro:myosuppressin receptor 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptide receptor A26 0.0023 0.005 0.8807
Schistosoma mansoni growth hormone secretagogue receptor 0.0023 0.005 0.7798
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0023 0.005 0.7798
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Brugia malayi hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.7798
Echinococcus granulosus 7tm_1 domain containing protein 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0.005 0.7798
Echinococcus granulosus neuropeptide Y receptor 0.0023 0.005 0.8807
Echinococcus granulosus 7TM GPCR rhodopsin 0.0023 0.005 0.8807
Loa Loa (eye worm) melatonin receptor type 1A 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus neuropeptides capa receptor 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0023 0.0051 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0023 0.005 0.8807
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.005 0.7798
Schistosoma mansoni opsin-like receptor 0.0023 0.005 0.7798
Brugia malayi AKH receptor 0.0023 0.005 0.8807
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis allatostatin A receptor 0.0023 0.005 0.8807
Brugia malayi Dopamine receptor 0.0023 0.005 0.8807
Echinococcus multilocularis orexin receptor type 2 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0023 0.005 0.8807
Echinococcus granulosus neuropeptide FF receptor 2 0.0023 0.005 0.8807
Echinococcus multilocularis g protein coupled receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0.005 0.8807
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0023 0.005 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus neuropeptide receptor A26 0.0023 0.005 0.8807
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0023 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0046 0.8141
Echinococcus multilocularis g protein coupled receptor 0.0023 0.005 0.8807
Schistosoma mansoni amine GPCR 0.0023 0.005 0.7798
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0025 0.0057 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0023 0.005 0.8807
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.7798
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0.005 0.7798
Echinococcus granulosus sex peptide receptor 0.0023 0.005 0.8807
Brugia malayi Dopamine receptor protein 2 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Brugia malayi G-protein coupled receptor 0.0023 0.005 0.8807
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.7798
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0.005 0.8807
Schistosoma mansoni neuropeptide receptor 0.0023 0.005 0.7798
Echinococcus granulosus g protein coupled receptor 0.0023 0.005 0.8807
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.005 0.8807
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0023 0.005 0.8807
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0.005 0.8807
Echinococcus granulosus neuropeptides capa receptor 0.0023 0.005 0.8807
Schistosoma mansoni neuropeptide receptor 0.0023 0.005 0.7798
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0023 0.005 0.8807
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0023 0.005 0.8807
Schistosoma mansoni neuropeptide receptor 0.0023 0.005 0.7798
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0057 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0.005 0.8807
Schistosoma mansoni adenoreceptor 0.0023 0.005 0.7798
Brugia malayi G protein-coupled receptor 0.0023 0.005 0.8807
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3099 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0023 0.005 0.8807
Brugia malayi RE15519p 0.0023 0.005 0.8807
Echinococcus granulosus serotonin receptor 0.0023 0.005 0.8807
Schistosoma mansoni opsin-like receptor 0.0023 0.005 0.7798
Echinococcus multilocularis serotonin receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0023 0.005 0.8807
Schistosoma mansoni biogenic amine receptor 0.0023 0.005 0.7798
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0.005 0.7798
Schistosoma mansoni neuropeptide f receptor 76f 0.0023 0.005 0.7798
Schistosoma mansoni myosin xvIII 0.0023 0.005 0.7798
Brugia malayi Serotonin receptor 0.0023 0.005 0.8807
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0023 0.005 0.8807
Brugia malayi Tachykinin-like peptides receptor 99D 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0.005 0.8807
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0023 0.005 0.7798
Schistosoma mansoni neuropeptide receptor 0.0023 0.005 0.7798
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0023 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.8807
Onchocerca volvulus 0.0023 0.005 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0.005 0.7798

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 0.3 % Human intestinal absorption in po dosed human ChEMBL. 20022146
Activity (functional) = 92 % Antimalarial activity against Plasmodium berghei ANKA infected in Swiss mouse assessed as suppression of infected RBC at 40 mg/kg, ip bid for 5 days coadministered with ritonavir 10 mg/kg, po ChEMBL. 21866890
EC50 (functional) = 1.1 uM Antimalarial activity against Plasmodium falciparum ChEMBL. 21379374
EC50 (functional) = 1.17 uM Antimalarial activity against Plasmodium falciparum 3D7 after 3 days by SYBR green I assay ChEMBL. 23795240
IC50 (binding) = -7.7 Inhibitory concentration against DOXP reductoisomerase ChEMBL. 15887963
IC50 (binding) = 80 nM Inhibition of Mycobacterium smegmatis DXR ChEMBL. 22405649
IC50 (binding) = 80 nM Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and Mn2+ as cofactor preincubated for 10 mins ChEMBL. 21561155
IC50 (binding) = 80 nM Inhibition of Mycobacterium tuberculosis DXR assessed as NADPH-dependent conversion of 1-deoxy-D-xylulose 5-phosphate to 2-C-methyl-D-erythritol 4-phosphate by spectrophotometric method ChEMBL. 17491006
IC50 (binding) = 100 nM Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis ChEMBL. 23471898
IC50 (binding) = 230 nM Inhibition of Mycobacterium tuberculosis IspC by photometric assay ChEMBL. 24032981
IC50 (binding) = 510 nM Inhibition of Mycobacterium smegmatis DSM 43756 ATCC 19420 N-terminal his-tagged DXR expressed in XL1-blue Escherichia coli using NADPH and DXP as substrate preincubated for 2 mins with substrate before compound addition ChEMBL. 22405649
IC50 (binding) = 0.03 uM Inhibition of recombinant Escherichia coli DXR ChEMBL. 16439126
IC50 (binding) = 0.03 uM Inhibition of recombinant Escherichia coli DXR ChEMBL. 16439126
IC50 (binding) = 0.03 uM Inhibition of Escherichia coli DXR ChEMBL. 21379374
IC50 (binding) = 0.032 uM Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Triton X100 ChEMBL. 24890653
IC50 (binding) = 0.032 uM Inhibition of Escherichia coli Dxr ChEMBL. 25210872
IC50 (binding) = 0.034 uM Inhibition of Escherichia coli DXR ChEMBL. 17583502
IC50 (binding) = 0.048 uM Inhibition of recombinant Escherichia coli DXR ChEMBL. 16610809
IC50 (binding) = 0.048 uM Inhibition of recombinant Escherichia coli DXR ChEMBL. 16610809
IC50 (binding) = 0.054 uM Inhibition of Escherichia coli DXR ChEMBL. 18158249
IC50 (binding) = 0.08 uM Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate assessed as formation of MEP measured every 5 secs for 180 secs by spectrophotometric analysis ChEMBL. 23819803
IC50 (binding) = 0.08 uM Inhibition of Mycobacterium tuberculosis DXR assessed as reduction of 1-deoxy-D-xylulose 5-phosphate into 2-C-methyl-D-erythritol-4-phosphate measured for every 5 secs upto 500 secs by spectrophotometry analysis ChEMBL. 21824775
IC50 (binding) = 0.2 uM Inhibition of T. brucei FPPSexpressed in E. coli ChEMBL. 17149863
IC50 (functional) = 0.22 uM Antibacterial activity against Escherichia coli K12 by broth microdilution method ChEMBL. 17149863
IC50 (functional) = 0.22 uM Antibacterial activity against Escherichia coli K12 by broth microdilution method ChEMBL. 17149863
IC50 (functional) = 0.36 uM Antimalarial activity against Plasmodium falciparum Dd2 ChEMBL. 16439126
IC50 (functional) = 0.36 uM Antimalarial activity against Plasmodium falciparum Dd2 ChEMBL. 16439126
IC50 (functional) = 0.4 uM Inhibition of Plasmodium falciparum 3D7 ChEMBL. 16610809
IC50 (functional) = 0.4 uM Inhibition of Plasmodium falciparum 3D7 ChEMBL. 16610809
IC50 (binding) = 0.438 uM Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH oxidation preincubated for 5 mins with NADPH followed by substrate addition by spectrophotometric analysis ChEMBL. 25781377
IC50 (binding) = 0.44 uM Inhibition of Mycobacterium tuberculosis Dxr ChEMBL. 24360562
IC50 (functional) = 0.48 uM Inhibition of Plasmodium falciparum Dd2 ChEMBL. 16610809
IC50 (functional) = 0.48 uM Inhibition of Plasmodium falciparum Dd2 ChEMBL. 16610809
IC50 (functional) = 0.81 uM Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmodium falciparum Dd2 incubated for 3 days by HRP2 detection based ELISA method ChEMBL. 25633870
IC50 (functional) = 1 uM Antimalarial activity against Plasmodium falciparum 3D7 assessed as parasite growth inhibition ChEMBL. 23215035
IC50 (functional) = 1.1 uM Antimalarial activity against Plasmodium falciparum 3D7 ChEMBL. 16439126
IC50 (functional) = 1.1 uM Antimalarial activity against Plasmodium falciparum 3D7 ChEMBL. 16439126
IC50 (functional) = 1.2 uM Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes after 48 hrs ChEMBL. 18158249
IC50 (functional) = 1.2 uM Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes after 48 hrs ChEMBL. 18158249
IC50 (functional) = 1.73 uM Antiplasmodial activity against Plasmodium falciparum K1 by micro dilution assay ChEMBL. 20568776
IC50 (functional) = 3.7 uM Antimicrobial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human erythrocytes assessed as inhibition of parasite replication ChEMBL. 21866890
IC50 (ADMET) > 62 uM Cytotoxicity against human MRC5 cells ChEMBL. 21866890
IC50 (binding) = 1853 uM Inhibition of E. coli DXR ChEMBL. 17149863
IC50 (binding) = 1853 uM Inhibition of E. coli DXR ChEMBL. 17149863
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 tolC at 16 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 tolC at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 glxK at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 tolC at 8 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 fadl at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 murA at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 yjeE at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 dapB at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 dxr at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 hemA at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 tmk at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 yrbB at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 baeR at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 rplB at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 mesJ at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 mreC at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 ddlB at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 ftsX at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 umpA at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 dxr at 8 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 murD at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 ydiL at 8 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 ydiL at 16 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 cca at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 yefM at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 rpmB at 4 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (binding) Inhibition of IPTG-stimulated Escherichia coli K-12 dxr at 16 fold MIC by microarray analysis ChEMBL. 19783991
Inhibition (functional) = 82 % Antiplasmodial activity against Plasmodium berghei ANKA infected in mice (Mus musculus) assessed as suppression of parasitaemia at 50 mg/kg, intraperitoneal for 5 consecutive days measured on day 4 post parasitic infection ChEMBL. 20568776
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli pTMV19 in presence of mevalonate ChEMBL. 17149863
IZ (functional) = 0 mm Antibacterial activity against Escherichia coli pTMV19 in presence of mevalonate ChEMBL. 17149863
IZ (functional) = 19 mm Antibacterial activity against Escherichia coli pTMV19 ChEMBL. 17149863
IZ (functional) = 19 mm Antibacterial activity against Escherichia coli pTMV19 ChEMBL. 17149863
IZ (functional) = 20 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
IZ (functional) = 20 mm Antibacterial activity against Escherichia coli W3110 ChEMBL. 17149863
Kd (binding) = 0.04 uM Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2 ChEMBL. 23819803
Ki (binding) = 21 nM Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase ChEMBL. 15454217
Ki (binding) = 21 nM Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase ChEMBL. 15454217
Ki (binding) = 0.14 uM Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preincubated for 10 mins ChEMBL. 21561155
MBC (functional) = 2500 uM Antibacterial activity against Escherichia coli K12 ChEMBL. 17149863
MBC (functional) = 2500 uM Antibacterial activity against Escherichia coli K12 ChEMBL. 17149863
MIC (functional) = 10 microM Antibacterial activity against Escherichia coli B/r after 24 hrs by NCCLS method ChEMBL. 19888756
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against Escherichia coli expressing TolC after overnight incubation by microbroth dilution method ChEMBL. 22024034
MIC (functional) > 500 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv after 7 days by microbroth dilution method ChEMBL. 22024034
MIC (functional) = 312 uM Antibacterial activity against Escherichia coli K12 ChEMBL. 17149863
MIC (functional) = 312 uM Antibacterial activity against Escherichia coli K12 ChEMBL. 17149863
MIC50 (functional) = 250 uM Antibacterial activity against Escherichia coli ATCC 25922 by two-fold broth microdilution method ChEMBL. 25781377
MIC99 (functional) > 500 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 2 weeks ChEMBL. 23914289
MST (functional) = 11.5 day Antiplasmodial activity against Plasmodium berghei ANKA infected in mice (Mus musculus) assessed as mean survival time at 50 mg/kg, intraperitoneal for 5 consecutive days ChEMBL. 20568776
Ratio (functional) = 0.13 Ratio, MIC/MBC for Escherichia coli K12 ChEMBL. 17149863

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Escherichia coli ChEMBL23 17149863
Plasmodium falciparum ChEMBL23 16439126

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
growth (GO:0040007) lethal (sensu genetics) (PATO:0000718) multi-cellular organism (CARO:0000012) bloodstream stage (PLO:0040) in vivo inhibition (TDR:00016) Plasmodium falciparum 2971  
Annotator: saralph@unimelb.edu.au Comment: 012/Mar/09 References: 10477522 11277531 12183243 12937969 16711755

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

54 literature references were collected for this gene.

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