Detailed information for compound 143775

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 225.136 | Formula: C6H12NO6P
  • H donors: 3 H acceptors: 5 LogP: -4.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COP(=O)(CC(=O)CC(C(=O)O)N)O
  • InChi: 1S/C6H12NO6P/c1-13-14(11,12)3-4(8)2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)(H,11,12)
  • InChiKey: YGBBYQRWHPGKOE-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis heat shock protein, putative 0.0878 0.3972 0.3972
Leishmania major heat shock protein 83-1 0.2142 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0067 0.0106 0.0106
Schistosoma mansoni heat shock protein 0.2142 1 1
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0436 0.1867 0.2358
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0436 0.1867 0.4701
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0436 0.1867 0.1867
Leishmania major heat shock protein, putative 0.0878 0.3972 0.3972
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.1264 0.5815 0.5815
Leishmania major heat shock protein 83-1 0.2142 1 1
Trichomonas vaginalis heat shock protein, putative 0.1314 0.6052 0.6052
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0436 0.1867 0.2358
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0106 0.0106
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.1706 0.792 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0337 0.1396 0.1396
Trypanosoma brucei heat shock protein 84, putative 0.0878 0.3972 0.3972
Trichomonas vaginalis heat shock protein, putative 0.1706 0.792 0.792
Loa Loa (eye worm) hypothetical protein 0.0293 0.1184 0.1184
Treponema pallidum heat shock protein 90 0.1706 0.792 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0106 0.0106
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0106 0.0106
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0436 0.1867 0.2358
Brugia malayi Probable DNA topoisomerase II 0.0436 0.1867 0.1867
Toxoplasma gondii heat shock protein HSP90 0.2142 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.1706 0.792 0.792
Brugia malayi kinase, mitochondrial precursor 0.0436 0.1867 0.1867
Leishmania major heat shock protein 83-1 0.2142 1 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0436 0.1867 0.1867
Plasmodium falciparum DNA gyrase subunit B 0.0436 0.1867 0.1867
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0337 0.1396 0.1396
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0098 0.0254 0.0254
Trypanosoma brucei heat shock protein 90, putative 0.2142 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0878 0.3972 1
Leishmania major DNA topoisomerase ii 0.0436 0.1867 0.1867
Plasmodium vivax heat shock protein 86, putative 0.2142 1 1
Giardia lamblia Grp94/Hsp90 0.1706 0.792 0.792
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0436 0.1867 0.1867
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0436 0.1867 0.2358
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0436 0.1867 0.2358
Trichomonas vaginalis sensor histidine kinase, putative 0.0436 0.1867 0.1867
Mycobacterium ulcerans putative regultory protein 0.0436 0.1867 0.2358
Trichomonas vaginalis endoplasmin, putative 0.1314 0.6052 0.6052
Leishmania major mitochondrial DNA topoisomerase II 0.0436 0.1867 0.1867
Chlamydia trachomatis DNA gyrase subunit B 0.0436 0.1867 1
Mycobacterium ulcerans two component sensor kinase MprB 0.0436 0.1867 0.2358
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0106 0.0106
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0436 0.1867 0.1867
Leishmania major heat shock protein 83-1 0.2142 1 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0436 0.1867 0.1867
Echinococcus granulosus heat shock protein 0.2142 1 1
Brugia malayi heat shock protein 90 0.2142 1 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0436 0.1867 0.2358
Echinococcus granulosus voltage gated potassium channel 0.0098 0.0254 0.0254
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.0106 0.0106
Echinococcus multilocularis heat shock protein 90 0.2142 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0106 0.0106
Leishmania major heat shock protein 83-1 0.2142 1 1
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0436 0.1867 0.1867
Echinococcus multilocularis heat shock protein 0.2142 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0067 0.0106 0.0106
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0315 0.129 0.129
Trypanosoma cruzi heat shock protein 85, putative 0.1706 0.792 0.792
Brugia malayi Hsp90 protein 0.0878 0.3972 0.3972
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0436 0.1867 0.2358
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0098 0.0254 0.0254
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0436 0.1867 0.1867
Schistosoma mansoni endoplasmin 0.2142 1 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0106 0.0106
Brugia malayi Cyclic-nucleotide gated cation channel 0.0067 0.0106 0.0106
Plasmodium falciparum DNA topoisomerase 2 0.0436 0.1867 0.1867
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0436 0.1867 0.1867
Plasmodium falciparum heat shock protein 90, putative 0.0878 0.3972 0.3972
Mycobacterium tuberculosis Conserved protein 0.0436 0.1867 0.2358
Plasmodium vivax heat shock protein, putative 0.0878 0.3972 0.3972
Schistosoma mansoni voltage-gated potassium channel 0.0368 0.1544 0.1544
Echinococcus granulosus heat shock protein 90 0.1706 0.792 0.792
Plasmodium vivax heat shock protein 90, putative 0.0878 0.3972 0.3972
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0067 0.0106 0.0106
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.1706 0.792 1
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.0254 0.0254
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.0254 0.0254
Plasmodium vivax endoplasmin, putative 0.2142 1 1
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0436 0.1867 0.2358
Echinococcus multilocularis voltage gated potassium channel 0.0098 0.0254 0.0254
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0436 0.1867 0.2358
Schistosoma mansoni DNA topoisomerase II 0.0436 0.1867 0.1867
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0436 0.1867 0.2358
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium leprae Probable two component sensor kinase MprB 0.0436 0.1867 0.2358
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0436 0.1867 0.1867
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0436 0.1867 0.1867
Leishmania major heat shock protein 83-1 0.2142 1 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0436 0.1867 0.1867
Toxoplasma gondii heat shock protein 90, putative 0.2142 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.2142 1 1
Trypanosoma brucei heat shock protein 90, putative 0.2142 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0878 0.3972 0.3972
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0436 0.1867 0.1867
Toxoplasma gondii Hsp90 domain-containing protein 0.0878 0.3972 0.3972
Trichomonas vaginalis heat shock protein, putative 0.2142 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0067 0.0106 0.0106
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0436 0.1867 0.1867
Loa Loa (eye worm) heat shock protein 90 0.2142 1 1
Mycobacterium leprae Probable two-component sensor kinase 0.0436 0.1867 0.2358
Schistosoma mansoni heat shock protein 0.2142 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0067 0.0106 0.0106
Trypanosoma cruzi DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0436 0.1867 0.2358
Trypanosoma brucei Heat shock protein 83, putative 0.2142 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0106 0.0106
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0067 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0098 0.0254 0.0254
Trichomonas vaginalis DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0106 0.0106
Trichomonas vaginalis heat shock protein, putative 0.1706 0.792 0.792
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0436 0.1867 0.1867
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.1706 0.792 0.792
Mycobacterium ulcerans two component regulator - sensor kinase 0.0436 0.1867 0.2358
Loa Loa (eye worm) TOPoisomerase family member 0.0436 0.1867 0.1867
Chlamydia trachomatis DNA gyrase subunit B 0.0436 0.1867 1
Leishmania major heat shock protein 83-1 0.2142 1 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0436 0.1867 0.1867
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0436 0.1867 0.1867
Toxoplasma gondii heat shock protein 75, putative 0.0878 0.3972 0.3972
Leishmania major heat shock protein 83-1 0.2142 1 1
Schistosoma mansoni heat shock protein 0.0878 0.3972 0.3972
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0098 0.0254 0.0254
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Leishmania major heat shock protein 83-1 0.2142 1 1
Entamoeba histolytica heat shock protein 90, putative 0.2142 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0878 0.3972 0.3972
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0106 0.0106
Schistosoma mansoni voltage-gated potassium channel 0.0368 0.1544 0.1544
Leishmania major heat shock protein 83-1 0.2142 1 1
Trichomonas vaginalis heat shock protein, putative 0.1706 0.792 0.792
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0436 0.1867 0.1867
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0106 0.0106
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0436 0.1867 0.4701
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0315 0.129 0.129
Trypanosoma cruzi heat shock protein, putative 0.0878 0.3972 0.3972
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0436 0.1867 0.2358
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0067 0.0106 0.0106
Loa Loa (eye worm) endoplasmin 0.2142 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0436 0.1867 0.1867
Plasmodium falciparum heat shock protein 90 0.2142 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0067 0.0106 0.0106
Trypanosoma brucei DNA topoisomerase ii 0.0436 0.1867 0.1867
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0436 0.1867 0.1867
Entamoeba histolytica heat shock protein 90, putative 0.2142 1 1
Echinococcus granulosus endoplasmin 0.1706 0.792 0.792
Giardia lamblia Heat shock protein HSP 90-alpha 0.2142 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0337 0.1396 0.1396
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0878 0.3972 0.3972
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0436 0.1867 0.2358
Trypanosoma cruzi DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0436 0.1867 0.2358
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0436 0.1867 0.1867
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.1706 0.792 1
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0436 0.1867 0.2358
Loa Loa (eye worm) hypothetical protein 0.0436 0.1867 0.1867
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0436 0.1867 0.2358
Schistosoma mansoni voltage-gated potassium channel 0.0053 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0436 0.1867 0.1867
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0436 0.1867 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.1706 0.792 0.792
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0436 0.1867 0.2358
Leishmania major heat shock protein 83-1 0.2142 1 1
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0436 0.1867 0.1867
Schistosoma mansoni 60S ribosomal protein L21 0.0053 0.0041 0.0041
Trypanosoma brucei heat shock protein, putative 0.2142 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0067 0.0106 0.0106
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0436 0.1867 0.2358
Echinococcus multilocularis endoplasmin 0.1706 0.792 0.792
Mycobacterium tuberculosis Possible two component sensor kinase 0.0436 0.1867 0.2358
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0436 0.1867 0.1867
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0436 0.1867 0.1867
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0436 0.1867 0.1867
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0436 0.1867 0.4701
Plasmodium falciparum endoplasmin, putative 0.1314 0.6052 0.6052
Giardia lamblia Pms1-like protein 0.0436 0.1867 0.1867
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0436 0.1867 0.2358
Loa Loa (eye worm) heat shock protein 75 0.0878 0.3972 0.3972
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0436 0.1867 0.1867
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0878 0.3972 0.2588
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0436 0.1867 0.2358
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0436 0.1867 0.1867
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0436 0.1867 0.2358
Loa Loa (eye worm) hypothetical protein 0.0436 0.1867 0.1867
Trypanosoma cruzi heat shock protein 85, putative 0.2142 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0106 0.0106
Trypanosoma cruzi Heat shock protein 83, putative 0.2142 1 1
Plasmodium vivax DNA topoisomerase II, putative 0.0436 0.1867 0.1867
Schistosoma mansoni pyruvate dehydrogenase 0.0436 0.1867 0.1867
Mycobacterium ulcerans DNA gyrase subunit B 0.0436 0.1867 0.2358
Leishmania major heat shock protein 83-1 0.2142 1 1
Mycobacterium ulcerans heat shock protein 90 0.1706 0.792 1
Leishmania major hypothetical protein, conserved 0.0436 0.1867 0.1867
Trypanosoma cruzi heat shock protein 90, putative 0.1706 0.792 0.792
Trypanosoma cruzi heat shock protein 90, putative 0.2142 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0337 0.1396 0.1396
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0436 0.1867 0.2358
Schistosoma mansoni endoplasmin 0.2142 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0067 0.0106 0.0106
Echinococcus multilocularis heat shock protein 90 0.1706 0.792 0.792
Plasmodium vivax hypothetical protein, conserved 0.0436 0.1867 0.1867
Trichomonas vaginalis receptor histidine kinase, putative 0.0436 0.1867 0.1867
Trypanosoma cruzi heat shock protein 85, putative 0.2142 1 1
Echinococcus granulosus heat shock protein 90 0.2142 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0436 0.1867 0.2358
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0436 0.1867 0.2358

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Tested for the binding potency against NMDA site of the glutamate receptor complex using rat brain cortical membranes in a competitive binding assay with [3H]-CPP as radioligand ChEMBL. No reference
IC50 (binding) = 5 uM Tested for the binding potency against NMDA site of the glutamate receptor complex using rat brain cortical membranes in a competitive binding assay with [3H]-CPP as radioligand ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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