Detailed information for compound 1700169

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.196 | Formula: C9H14N3O9P
  • H donors: 5 H acceptors: 7 LogP: -5.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc([n+](c1=O)[O-])N)COP(=O)(O)O
  • InChi: 1S/C9H14N3O9P/c10-5-1-2-11(9(15)12(5)16)8-7(14)6(13)4(21-8)3-20-22(17,18)19/h1-2,4,6-8,13-14H,3,10H2,(H2,17,18,19)/t4-,6-,7-,8-/m1/s1
  • InChiKey: XYKKSXSIGZPBEK-XVFCMESISA-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
Onchocerca volvulus 0.0099 0.1002 0.1198
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0283 0.0314
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0029 0.0103
Schistosoma mansoni hypothetical protein 0.0051 0.0424 0.0481
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0282 0.0211
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.006
Brugia malayi TAR-binding protein 0.0067 0.0614 0.2202
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0077 0.0738 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0273 0.9591
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.055 0.7351
Leishmania major cathepsin L-like protease 0.0067 0.062 0.8331
Brugia malayi intermediate filament protein 0.0028 0.0157 0.0564
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0273 0.3437
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0077 0.0738 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0283 0.3583
Schistosoma mansoni alpha glucosidase 0.0038 0.0273 0.0302
Echinococcus granulosus intermediate filament protein 0.0028 0.0157 0.0166
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Loa Loa (eye worm) hypothetical protein 0.0036 0.0246 0.0884
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0273 0.9591
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0273 0.9591
Echinococcus multilocularis neuropeptide receptor A26 0.0486 0.5625 0.5617
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.8331
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0614 0.2202
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0273 0.0978
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.8331
Schistosoma mansoni alpha-glucosidase 0.0147 0.1579 0.1846
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0614 0.2202
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.1864 0.1851
Loa Loa (eye worm) hypothetical protein 0.0028 0.0157 0.0564
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0029 0.0103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.062 0.8331
Leishmania major cathepsin L-like protease 0.0067 0.062 0.8331
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0077 0.0738 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.1864 0.6687
Echinococcus granulosus uridine 5' monophosphate synthase 0.0077 0.0738 0.0852
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.1864 0.6687
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0234 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0614 0.0706
Wolbachia endosymbiont of Brugia malayi orotidine-5'-phosphate decarboxylase 0.0774 0.9067 1
Echinococcus granulosus lamin dm0 0.0028 0.0157 0.0166
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0273 0.0302
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0445 0.1595
Echinococcus granulosus tar DNA binding protein 0.0067 0.0614 0.0706
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.1864 0.1851
Echinococcus granulosus lamin 0.0028 0.0157 0.0166
Loa Loa (eye worm) hypothetical protein 0.0039 0.0283 0.1015
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0029 0.0014
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.1864 0.2182
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0273 0.9591
Loa Loa (eye worm) hypothetical protein 0.0129 0.1357 0.4867
Brugia malayi hypothetical protein 0.0248 0.2788 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0282 0.9978
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0029 0.0012
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0614 0.2202
Brugia malayi hypothetical protein 0.0129 0.1357 0.4867
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0273 0.3437
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0283 0.1015
Loa Loa (eye worm) ctsf protein 0.0018 0.0029 0.0103
Echinococcus multilocularis cysteine protease 0.0018 0.0029 0.0012
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0283 0.0223
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0157 0.0564
Echinococcus multilocularis microtubule associated protein 2 0.0725 0.8483 0.848
Echinococcus granulosus neuropeptide s receptor 0.0486 0.5625 0.6624
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Echinococcus granulosus microtubule associated protein 2 0.0725 0.8483 1
Echinococcus granulosus cathepsin l1 0.0018 0.0029 0.0014
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0178 0.1942 0.2274
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0029 0.0014
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0273 0.9591
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0273 0.3437
Echinococcus granulosus neuropeptide receptor A26 0.0486 0.5625 0.6624
Schistosoma mansoni inositol monophosphatase 0.0039 0.0282 0.0314
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0017 0.006
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.8331
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0282 0.3575
Onchocerca volvulus 0.0697 0.8148 1
Plasmodium falciparum orotidine 5'-phosphate decarboxylase 0.0077 0.0738 1
Mycobacterium leprae Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase) 0.0077 0.0738 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0283 0.0267
Schistosoma mansoni alpha-glucosidase 0.0147 0.1579 0.1846
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0282 0.9978
Brugia malayi orotate phosphoribosyltransferase family protein 0.0077 0.0738 0.2647
Schistosoma mansoni microtubule-associated protein tau 0.0725 0.8483 1
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0077 0.0738 0.0852
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Schistosoma mansoni lamin 0.0028 0.0157 0.0166
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.0283 1
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0077 0.0738 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0029 0.0103
Onchocerca volvulus 0.0028 0.0157 0.0158
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.0283 0.0314
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0157 0.0564
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0029 0.0012
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0029 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0614 0.0706
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Onchocerca volvulus Huntingtin homolog 0.0129 0.1357 0.1636
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0213 0.237 0.8502
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0282 0.9978
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0273 0.0256
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.0283 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0282 0.3575
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0077 0.0738 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0614 0.0706
Onchocerca volvulus 0.0051 0.0424 0.0487
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Loa Loa (eye worm) hypothetical protein 0.0248 0.2788 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0283 1
Loa Loa (eye worm) inositol-1 0.0039 0.0282 0.1013
Brugia malayi Inositol-1 0.0039 0.0282 0.1013
Schistosoma mansoni survival motor neuron protein 0.0051 0.0424 0.0481
Echinococcus multilocularis cysteine protease 0.0018 0.0029 0.0012
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.0283 0.0267
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0077 0.0738 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2788 0.3273
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0273 0.3437
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0282 0.3575
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0273 0.9591
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2788 0.2776
Loa Loa (eye worm) hypothetical protein 0.0028 0.0151 0.0542
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0273 0.9591
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0283 0.3583
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0017 0.006
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0282 0.9978
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0448 0.5914
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0029 0.0014
Echinococcus multilocularis musashi 0.0028 0.0157 0.0141
Loa Loa (eye worm) hypothetical protein 0.0129 0.1357 0.4867
Schistosoma mansoni intermediate filament proteins 0.0028 0.0157 0.0166
Echinococcus multilocularis lamin dm0 0.0028 0.0157 0.0141
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0077 0.0738 0.2647
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.0283 0.0314
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0273 0.0978
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0246 0.0884
Loa Loa (eye worm) RNA binding protein 0.0067 0.0614 0.2202
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0077 0.0738 0.0722
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0283 0.3583
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0445 0.1595
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0157 0.0564
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0029 0.0014
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0282 0.0266
Onchocerca volvulus 0.0028 0.0157 0.0158
Loa Loa (eye worm) cysteine protease 0.0018 0.0029 0.0103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.0283 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0178 0.1942 0.1929
Echinococcus multilocularis neuropeptide s receptor 0.0486 0.5625 0.5617
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.0283 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0614 0.0706
Brugia malayi RNA binding protein 0.0067 0.0614 0.2202
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0614 0.0706
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0424 0.1522
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0077 0.0738 1
Schistosoma mansoni lamin 0.0028 0.0157 0.0166
Schistosoma mansoni inositol monophosphatase 0.0039 0.0282 0.0314
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0273 0.9591
Loa Loa (eye worm) hypothetical protein 0.0018 0.0029 0.0103
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0614 0.0598
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Echinococcus multilocularis lamin 0.0028 0.0157 0.0141
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.0283 0.0314
Onchocerca volvulus Huntingtin homolog 0.0129 0.1357 0.1636
Loa Loa (eye worm) fibroinase 0.0018 0.0029 0.0103
Loa Loa (eye worm) hypothetical protein 0.0213 0.237 0.8502
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0273 0.9591
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0282 0.0314
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0103
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0029 0.0012
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0077 0.0738 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.0283 0.0267
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0282 0.3575
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0017 0.006
Schistosoma mansoni hypothetical protein 0.0036 0.0246 0.0271
Leishmania major cathepsin L-like protease 0.0067 0.062 0.8331
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.7458
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0273 0.9591
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0273 0.9591

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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