Detailed information for compound 1789858

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 191.225 | Formula: C8H17NO4
  • H donors: 4 H acceptors: 4 LogP: -1.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1N(C)[C@H](C)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C8H17NO4/c1-4-6(11)8(13)7(12)5(3-10)9(4)2/h4-8,10-13H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
  • InChiKey: KKPNGKXDFNCSEZ-JAJWTYFOSA-N  


Substructure search Similarity search

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 ap endonuclease 0.004 0.0098 0.0098
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0098 0.0099
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0098 0.104
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0098 0.1039
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0075 0.0354 0.374
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0155 0.0946 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0075 0.0354 0.374
Echinococcus multilocularis protein kinase shaggy 0.0155 0.0946 0.0956
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0098 0.0149
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0098 0.0099
Brugia malayi follicle stimulating hormone receptor 0.0238 0.1563 0.158
Brugia malayi Cytochrome P450 family protein 0.0037 0.0074 0.0075
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0041 0.01 0.1055
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0074 0.0781
Echinococcus granulosus microtubule associated protein 2 0.0775 0.5545 0.5604
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0098 0.1039
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0098 0.0099
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.003 0.002 0.0211
Loa Loa (eye worm) hypothetical protein 0.0051 0.0178 0.018
Trichomonas vaginalis sucrase-isomaltase, putative 0.0075 0.0354 0.374
Brugia malayi Cytochrome P450 family protein 0.0078 0.0377 0.0381
Brugia malayi Glycosyl hydrolases family 31 protein 0.0388 0.2676 0.2704
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Echinococcus multilocularis dual specificity testis specific protein kinase 0.003 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.1354 0.9837 0.9941
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Onchocerca volvulus 0.0155 0.0946 0.4948
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0037 0.0074 0.0781
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0098 0.0149
Trichomonas vaginalis esterase, putative 0.004 0.0098 0.1039
Echinococcus multilocularis lamin dm0 0.0028 0.0004 0.0004
Leishmania major alpha glucosidase II subunit, putative 0.0075 0.0354 0.374
Onchocerca volvulus 0.0284 0.1907 1
Echinococcus granulosus protein kinase shaggy 0.0155 0.0946 0.0956
Mycobacterium leprae Probable lipase LipE 0.004 0.0098 1
Schistosoma mansoni alpha glucosidase 0.0075 0.0354 0.0354
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0098 0.0149
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.0074 0.0781
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0098 0.1039
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.003 0.002 0.0211
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0075 0.0354 0.374
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0098 0.0098
Trichomonas vaginalis maltase-glucoamylase, putative 0.0075 0.0354 0.374
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0004 0.0004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0098 0.0099
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0075 0.0354 0.0357
Loa Loa (eye worm) hypothetical protein 0.0041 0.01 0.0101
Schistosoma mansoni lamin 0.0028 0.0004 0.0004
Brugia malayi Cytochrome P450 family protein 0.0074 0.0346 0.0349
Entamoeba histolytica protein kinase domain containing protein 0.0155 0.0946 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0058 0.0059
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.003 0.002 0.0211
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0098 0.104
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0131 0.0767 0.8107
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0098 0.0352
Loa Loa (eye worm) hypothetical protein 0.0028 0.0004 0.0004
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0098 0.0149
Echinococcus granulosus lamin 0.0028 0.0004 0.0004
Giardia lamblia Kinase, CMGC GSK 0.0155 0.0946 1
Schistosoma mansoni alpha-glucosidase 0.0354 0.2422 0.2422
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0354 0.374
Echinococcus granulosus intermediate filament protein 0.0028 0.0004 0.0004
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0155 0.0946 0.0956
Loa Loa (eye worm) cytochrome P450 family protein 0.0074 0.0346 0.0349
Entamoeba histolytica protein kinase domain containing protein 0.003 0.002 0.0211
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.1714 1
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Loa Loa (eye worm) cytochrome P450 family protein 0.0078 0.0377 0.0381
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0098 0.1039
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Echinococcus granulosus tyrosine protein kinase Lyn 0.003 0.002 0.002
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0155 0.0946 0.0956
Trichomonas vaginalis alpha-glucosidase, putative 0.0075 0.0354 0.374
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0147 0.0148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0147 0.0148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0147 0.0148
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.0946 1
Mycobacterium ulcerans lipase LipD 0.004 0.0098 0.0352
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0098 0.0149
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0178 0.018
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0098 0.104
Leishmania major protein kinase, putative 0.003 0.002 0.0211
Echinococcus granulosus cytochrome P450 2K1 0.0037 0.0074 0.0075
Schistosoma mansoni alpha-glucosidase 0.0354 0.2422 0.2422
Trypanosoma brucei protein kinase, putative 0.003 0.002 0.0211
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.01 0.0101
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0074 0.0346 0.3923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0147 0.0147
Onchocerca volvulus 0.004 0.0098 0.0496
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0098 0.0353
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.01 0.1055
Trypanosoma brucei glycosyl hydrolase-like protein 0.0041 0.01 0.1055
Echinococcus multilocularis 0.0037 0.0074 0.0075
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0098 0.0099
Echinococcus granulosus dual specificity testis-specific protein kinase 0.003 0.002 0.002
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0098 0.0149
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0098 0.0352
Loa Loa (eye worm) hypothetical protein 0.0035 0.0058 0.0059
Echinococcus multilocularis lysosomal alpha glucosidase 0.0388 0.2676 0.2704
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0147 0.0148
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.01 0.1055
Mycobacterium tuberculosis Conserved protein 0.004 0.0098 0.0149
Echinococcus multilocularis neutral alpha glucosidase AB 0.0075 0.0354 0.0357
Echinococcus multilocularis lamin 0.0028 0.0004 0.0004
Schistosoma mansoni protein kinase 0.003 0.002 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0147 0.0148
Plasmodium falciparum glycogen synthase kinase 3 0.0155 0.0946 1
Loa Loa (eye worm) CYP4Cod1 0.0074 0.0346 0.0349
Plasmodium vivax hypothetical protein, conserved 0.004 0.0098 0.1039
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0004 0.0004
Mycobacterium tuberculosis Conserved protein 0.004 0.0098 0.0149
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.01 0.1055
Leishmania major cytochrome p450-like protein 0.0037 0.0074 0.0781
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0098 0.104
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.01 0.1055
Schistosoma mansoni cytochrome P450 0.0037 0.0074 0.0074
Toxoplasma gondii aldehyde dehydrogenase 0.0131 0.0767 0.8107
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0155 0.0946 0.0946
Trypanosoma brucei protein kinase, putative 0.0155 0.0946 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0767 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0041 0.01 0.1055
Leishmania major hypothetical protein, conserved 0.004 0.0098 0.1039
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0155 0.0946 0.0956
Plasmodium vivax glycogen synthase kinase 3, putative 0.0155 0.0946 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0388 0.2676 0.2704
Trichomonas vaginalis alpha-glucosidase, putative 0.0075 0.0354 0.374
Leishmania major cytochrome p450-like protein 0.0074 0.0346 0.3655
Toxoplasma gondii cytochrome p450 superfamily protein 0.0037 0.0074 0.0781
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0098 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0074 0.0346 0.3655
Plasmodium falciparum protein kinase, putative 0.003 0.002 0.0211
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0098 0.104
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0098 0.0149
Mycobacterium ulcerans hypothetical protein 0.004 0.0098 0.0352
Loa Loa (eye worm) hypothetical protein 0.1354 0.9837 0.9941
Brugia malayi beta-lactamase family protein 0.004 0.0098 0.0099
Echinococcus multilocularis activin receptor type 0.003 0.002 0.002
Entamoeba histolytica protein kinase, putative 0.0155 0.0946 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.003 0.002 0.0211
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.01 0.1055
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0098 0.104
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0098 0.104
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.01 0.1055
Mycobacterium tuberculosis Conserved protein 0.004 0.0098 0.0149
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0098 0.1039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0098 0.0098
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0037 0.0074 0.0781
Trichomonas vaginalis alpha-glucosidase, putative 0.0075 0.0354 0.374
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.0946 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0155 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0099
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0098 0.1039
Echinococcus granulosus neutral alpha glucosidase AB 0.0075 0.0354 0.0357
Brugia malayi Glycosyl hydrolases family 31 protein 0.0075 0.0354 0.0357
Echinococcus granulosus lamin dm0 0.0028 0.0004 0.0004
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.1362 0.9896 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0147 0.0147
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0178 0.018
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0098 0.0099
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1362 0.9896 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.01 0.1055
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0767 1
Mycobacterium ulcerans beta-lactamase 0.004 0.0098 0.0352
Schistosoma mansoni lamin 0.0028 0.0004 0.0004
Schistosoma mansoni microtubule-associated protein tau 0.0775 0.5545 0.5545
Brugia malayi Protein kinase domain containing protein 0.1362 0.9896 1
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0354 0.374
Brugia malayi beta-lactamase 0.004 0.0098 0.0099
Leishmania major glycosyl hydrolase-like protein 0.0041 0.01 0.1055
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0004 0.0004
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0178 0.018
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0075 0.0354 0.374
Brugia malayi beta-lactamase family protein 0.004 0.0098 0.0099
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0098 0.0099
Echinococcus granulosus lysosomal alpha glucosidase 0.0388 0.2676 0.2704
Leishmania major cytochrome p450-like protein 0.0037 0.0074 0.0781
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.01 0.1055
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0037 0.0074 0.0781
Echinococcus multilocularis musashi 0.0028 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0037 0.007 0.0071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0147 0.0147
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0098 0.104
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0098 0.104
Schistosoma mansoni protein kinase 0.003 0.002 0.002
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0833 0.5977 0.604
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.0767 0.0767
Giardia lamblia Kinase, CMGC GSK 0.0155 0.0946 1
Echinococcus granulosus activin receptor type 0.003 0.002 0.002
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0131 0.0767 0.4224
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0098 0.104
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0075 0.0354 0.374
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0098 0.0149
Schistosoma mansoni hypothetical protein 0.0037 0.0074 0.0074
Trypanosoma cruzi cytochrome P450, putative 0.0074 0.0346 0.3655
Onchocerca volvulus 0.004 0.0098 0.0496
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.0767 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0075 0.0354 0.374
Trypanosoma brucei glucosidase, putative 0.0075 0.0354 0.374
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1362 0.9896 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0098 0.1039
Brugia malayi intracellular kinase 0.0155 0.0946 0.0956
Loa Loa (eye worm) cytochrome P450 family protein 0.0074 0.0346 0.0349
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0155 0.0946 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0131 0.0767 0.0775
Trypanosoma brucei cytochrome P450, putative 0.0074 0.0346 0.3655
Loa Loa (eye worm) cytochrome P450 0.0037 0.0074 0.0075
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0155 0.0946 0.0956
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0147 0.0148
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0098 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0098 0.1039
Loa Loa (eye worm) beta-lactamase 0.004 0.0098 0.0099
Toxoplasma gondii ABC1 family protein 0.004 0.0098 0.1039
Onchocerca volvulus 0.004 0.0098 0.0496
Brugia malayi Cytochrome P450 family protein 0.0074 0.0346 0.0349
Toxoplasma gondii exonuclease III APE 0.004 0.0098 0.104
Schistosoma mansoni intermediate filament proteins 0.0028 0.0004 0.0004
Schistosoma mansoni ap endonuclease 0.004 0.0098 0.0098
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0388 0.2676 0.2704
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0041 0.01 0.0504
Trichomonas vaginalis alpha-glucosidase, putative 0.0075 0.0354 0.374
Brugia malayi cytochrome P450 0.0037 0.0074 0.0075
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0131 0.0767 0.0775
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.01 0.1055
Schistosoma mansoni hypothetical protein 0.0035 0.0058 0.0058
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0098 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.1563 0.158
Brugia malayi intermediate filament protein 0.0028 0.0004 0.0004
Schistosoma mansoni protein kinase 0.003 0.002 0.002
Mycobacterium leprae conserved hypothetical protein 0.004 0.0098 1
Entamoeba histolytica protein kinase domain containing protein 0.0155 0.0946 1
Echinococcus multilocularis microtubule associated protein 2 0.0775 0.5545 0.5604

Activities

No activities found for this compound.

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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