Detailed information for compound 256891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.234 | Formula: C12H14NNaO4
  • H donors: 1 H acceptors: 4 LogP: 0.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H]1CCCC1=C2C(=O)[O-])O.[Na+]
  • InChi: 1S/C12H15NO4.Na/c1-5(14)8-9-6-3-2-4-7(6)10(12(16)17)13(9)11(8)15;/h5-6,8-9,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,8-,9-;/m1./s1
  • InChiKey: ZLVXMTFOFWOOIL-RNZQWECKSA-M  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0021 0.0066 0.008
Toxoplasma gondii TIM10 family protein, putative 0.0027 0.0093 0.0037
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.2003 0.8225 0.8214
Brugia malayi TAR-binding protein 0.0054 0.0202 0.0245
Brugia malayi beta-NAC-like protein 0.002 0.0063 0.0077
Echinococcus granulosus microtubule associated protein 2 0.0395 0.1607 0.1953
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.2003 0.8225 0.5
Onchocerca volvulus 0.0028 0.0097 0.2211
Brugia malayi CXXC zinc finger family protein 0.0016 0.0048 0.0059
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Brugia malayi beta-lactamase family protein 0.0021 0.0066 0.008
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0653 0.2667 0.262
Echinococcus granulosus neuropeptide s receptor 0.0265 0.107 0.1301
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1277 0.5235 0.6365
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0027 0.0093 0.0113
Schistosoma mansoni cpg binding protein 0.0017 0.0052 0.0064
Echinococcus multilocularis cpg binding protein 0.0017 0.0052 0.0064
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.2003 0.8225 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Schistosoma mansoni hypothetical protein 0.0023 0.0076 0.0093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0138
Echinococcus granulosus cpg binding protein 0.0017 0.0052 0.0064
Entamoeba histolytica hypothetical protein 0.0021 0.0066 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.0068 0.0262 0.0473
Entamoeba histolytica hypothetical protein 0.0021 0.0066 0.0003
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0054 0.0202 0.0364
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0027 0.0093 0.0037
Loa Loa (eye worm) hypothetical protein 0.0029 0.0098 0.0177
Echinococcus multilocularis tumor protein p63 0.0193 0.0777 0.0945
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0029 0.0098 0.0177
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Loa Loa (eye worm) ICD-1 protein 0.002 0.0063 0.0114
Brugia malayi latrophilin 2 splice variant baaae 0.002 0.0061 0.0074
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0023 0.0076 0.0016
Echinococcus granulosus dnaJ subfamily B 0.0234 0.0945 0.1148
Trichomonas vaginalis D-aminoacylase, putative 0.0021 0.0066 0.0003
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.2003 0.8225 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Schistosoma mansoni hypothetical protein 0.0009 0.0018 0.0022
Brugia malayi hypothetical protein 0.0021 0.0067 0.0082
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1277 0.5235 0.6337
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0027 0.0093 0.0037
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0624 0.2549 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0021 0.0066 0.008
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0023 0.0076 0.0016
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0066 0.0003
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0023 0.0076 0.0093
Echinococcus granulosus expressed protein 0.0027 0.0093 0.0113
Schistosoma mansoni microtubule-associated protein tau 0.0395 0.1607 0.1953
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0021 0.0066 0.008
Entamoeba histolytica hypothetical protein 0.0021 0.0066 0.0003
Brugia malayi hypothetical protein 0.0021 0.0066 0.008
Echinococcus granulosus tar DNA binding protein 0.0054 0.0202 0.0245
Trichomonas vaginalis esterase, putative 0.0021 0.0066 0.0003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0009 0.0018 0.0022
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2435 1 1
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0653 0.2667 0.3243
Onchocerca volvulus 0.0021 0.0066 0.0777
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1351 0.5539 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.2003 0.8225 0.5
Brugia malayi RNA binding protein 0.0054 0.0202 0.0245
Brugia malayi F/Y-rich N-terminus family protein 0.0005 0.0002 0.0002
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1277 0.5235 0.9451
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Echinococcus multilocularis expressed protein 0.0027 0.0093 0.0113
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0262 0.0473
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0009 0.0018 0.0022
Toxoplasma gondii histone lysine methyltransferase SET1 0.0031 0.0109 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0202 0.0245
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0653 0.2667 0.262
Loa Loa (eye worm) CXXC zinc finger family protein 0.0016 0.0048 0.0088
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0005 0.0002 0.0002
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.2003 0.8225 1
Onchocerca volvulus Huntingtin homolog 0.007 0.0269 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.2003 0.8225 1
Onchocerca volvulus 0.0021 0.0066 0.0777
Onchocerca volvulus Huntingtin homolog 0.007 0.0269 1
Brugia malayi Latrophilin receptor protein 2 0.0009 0.0018 0.0022
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1277 0.5235 0.9451
Loa Loa (eye worm) hypothetical protein 0.0086 0.0333 0.0601
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0029 0.0098 0.012
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.2003 0.8225 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.2003 0.8225 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1351 0.5539 1
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0027 0.0093 0.0037
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0023 0.0076 0.0093
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0653 0.2667 0.262
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0027 0.0093 0.0113
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0021 0.0066 0.008
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0653 0.2667 0.262
Brugia malayi beta-lactamase family protein 0.0021 0.0066 0.008
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0009 0.0018 0.0022
Echinococcus granulosus beta LACTamase domain containing family member 0.0021 0.0066 0.008
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 0.8214
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0202 0.0245
Toxoplasma gondii ABC1 family protein 0.0021 0.0066 0.0003
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 0.8214
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0066 0.0002
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.2435 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0061 0.011
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.2003 0.8225 0.8214
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 0.8214
Echinococcus multilocularis tar DNA binding protein 0.0054 0.0202 0.0245
Brugia malayi beta-lactamase 0.0021 0.0066 0.008
Brugia malayi hypothetical protein 0.007 0.0269 0.0328
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.2003 0.8225 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.2003 0.8225 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2435 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0021 0.0066 0.008
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0727 0.2971 0.3563
Echinococcus multilocularis beta LACTamase domain containing family member 0.0021 0.0066 0.008
Leishmania major hypothetical protein, conserved 0.0021 0.0066 0.0002
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0023 0.0076 0.0016
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.2003 0.8225 0.8214
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0202 0.0245
Schistosoma mansoni hypothetical protein 0.002 0.0061 0.0074
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1277 0.5235 0.6365
Brugia malayi Calcitonin receptor-like protein seb-1 0.0029 0.0098 0.012
Schistosoma mansoni hypothetical protein 0.0009 0.0018 0.0022
Loa Loa (eye worm) beta-lactamase 0.0021 0.0066 0.0119
Schistosoma mansoni hypothetical protein 0.0009 0.0018 0.0022
Schistosoma mansoni hypothetical protein 0.0009 0.0018 0.0022
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.2003 0.8225 0.8214
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.2003 0.8225 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0624 0.2549 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0269 0.0487
Echinococcus multilocularis neuropeptide s receptor 0.0265 0.107 0.1301
Schistosoma mansoni cpg binding protein 0.0017 0.0052 0.0064
Loa Loa (eye worm) hypothetical protein 0.007 0.0269 0.0487
Brugia malayi hypothetical protein 0.0021 0.0067 0.0082
Brugia malayi MH2 domain containing protein 0.0068 0.0262 0.0319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Schistosoma mansoni transcription factor LCR-F1 0.0021 0.0066 0.008
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.2003 0.8225 0.8214
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Echinococcus granulosus GPCR family 2 0.0009 0.0018 0.0022
Schistosoma mansoni hypothetical protein 0.0021 0.0066 0.008
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0032
Loa Loa (eye worm) RNA binding protein 0.0054 0.0202 0.0364
Schistosoma mansoni hypothetical protein 0.0234 0.0945 0.1148
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0021 0.0066 0.0119
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0727 0.2971 0.3612
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0005 0.0002 0.0002
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.2003 0.8225 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0009 0.0018 0.0022
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 0.8214
Echinococcus granulosus transcription factor btf3 0.002 0.0063 0.0077
Echinococcus multilocularis transcription factor btf3 0.002 0.0063 0.0077
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.2003 0.8225 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0021 0.0066 0.0003
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0653 0.2667 0.262
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0027 0.0093 0.0168
Loa Loa (eye worm) hypothetical protein 0.0021 0.0066 0.0119
Trichomonas vaginalis penicillin-binding protein, putative 0.0021 0.0066 0.0003
Schistosoma mansoni cellular tumor antigen P53 0.0028 0.0097 0.0118
Echinococcus granulosus muscleblind protein 0.0086 0.0333 0.0405
Brugia malayi RNA recognition motif domain containing protein 0.0054 0.0202 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0066 0.0002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0035 0.0124 0.0151
Trichomonas vaginalis D-aminoacylase, putative 0.0021 0.0066 0.0003
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.2003 0.8225 0.8214
Echinococcus granulosus tumor protein p63 0.0193 0.0777 0.0945
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.2003 0.8225 1
Trichomonas vaginalis D-aminoacylase, putative 0.0021 0.0066 0.0003
Echinococcus multilocularis muscleblind protein 0.0086 0.0333 0.0405
Loa Loa (eye worm) hypothetical protein 0.1277 0.5235 0.9451
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0009 0.0018 0.0022
Echinococcus multilocularis GPCR, family 2 0.0009 0.0018 0.0022
Entamoeba histolytica hypothetical protein 0.0021 0.0066 0.0003
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.2003 0.8225 1
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0066 0.0002
Schistosoma mansoni transcription factor btf3 0.002 0.0063 0.0077
Echinococcus multilocularis neuropeptide receptor A26 0.0265 0.107 0.1301
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.2003 0.8225 1
Onchocerca volvulus 0.0021 0.0066 0.0777
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0023 0.0076 0.0093
Loa Loa (eye worm) latrophilin receptor protein 2 0.0009 0.0018 0.0032
Echinococcus multilocularis dnaJ subfamily B 0.0234 0.0945 0.1148
Echinococcus granulosus neuropeptide receptor A26 0.0265 0.107 0.1301
Schistosoma mansoni cpg binding protein 0.0016 0.0048 0.0059
Loa Loa (eye worm) hypothetical protein 0.0086 0.0333 0.0601
Echinococcus multilocularis microtubule associated protein 2 0.0395 0.1607 0.1953
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0202 0.0245
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0132 0.0523 0.1841
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.2003 0.8225 1
Loa Loa (eye worm) TAR-binding protein 0.0054 0.0202 0.0364
Brugia malayi Muscleblind-like protein 0.0086 0.0333 0.0405
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.2003 0.8225 0.8214
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0023 0.0076 0.0093
Loa Loa (eye worm) hypothetical protein 0.0028 0.0097 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0202 0.0245
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1277 0.5235 0.6337
Loa Loa (eye worm) histone methyltransferase 0.0005 0.0002 0.0003
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.2003 0.8225 0.8214
Echinococcus multilocularis muscleblind protein 1 0.0086 0.0333 0.0405
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.2003 0.8225 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.5 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Staphylococcus aureus 853. ChEMBL. No reference
MIC (functional) = 1 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Staphylococcus aureus 663. ChEMBL. No reference
MIC (functional) = 1 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Clostridium perfringens 615. ChEMBL. No reference
MIC (functional) = 2 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Escherichia coli 1850. ChEMBL. No reference
MIC (functional) = 2 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Escherichia coli 1850. ChEMBL. No reference
MIC (functional) = 8 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Staphylococcus aureus 1131. ChEMBL. No reference
MIC (functional) = 16 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Enterobacter faecalis 850E. ChEMBL. No reference
MIC (functional) > 32 ug ml-1 Compound was evaluated in vitro for antibacterial activity against Pseudomonas aeruginosa 1911. 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

Bibliographic References

No literature references available for this target.

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