Detailed information for compound 1751354

Basic information

Technical information
  • TDR Targets ID: 1751354
  • Name: T5265345
  • MW: 362.404 | Formula: C16H18N4O4S
  • H donors: 1 H acceptors: 5 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CSc1nc(C)c(c(n1)C)C)[N+](=O)[O-]
  • InChi: 1S/C16H18N4O4S/c1-9-10(2)17-16(18-11(9)3)25-8-15(21)19-13-7-12(20(22)23)5-6-14(13)24-4/h5-7H,8H2,1-4H3,(H,19,21)
  • InChiKey: XAFBBOUUXNUNTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02626294
  • MLS000390581
  • SMR000259620

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
Toxoplasma gondii cathepsin CPL 0.0023 0.0726 0.6051
Trypanosoma cruzi UDP-galactopyranose mutase 0.003 0.1175 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Echinococcus multilocularis cysteine protease 0.0023 0.0726 0.0726
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0884 0.7436
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Onchocerca volvulus 0.0023 0.0726 0.0528
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Plasmodium vivax vivapain-2 0.0023 0.0726 0.6181
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.003 0.1175 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0146 0.8808 0.8808
Trypanosoma cruzi cysteine peptidase, putative 0.0023 0.0726 0.6181
Brugia malayi hypothetical protein 0.003 0.1175 0.1222
Brugia malayi Cathepsin L-like cysteine proteinase 0.0015 0.0231 0.024
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0023 0.0726 0.8219
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0023 0.0726 0.0718
Loa Loa (eye worm) hypothetical protein 0.0042 0.1985 0.2032
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0884 0.7521
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Echinococcus multilocularis geminin 0.0164 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0884 0.7521
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0012 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Schistosoma mansoni amine oxidase 0.003 0.1175 0.1175
Trypanosoma cruzi cysteine peptidase, putative 0.0023 0.0726 0.6181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0438
Plasmodium vivax vivapain-2 0.0023 0.0726 0.6181
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.0726 0.8219
Plasmodium falciparum protoporphyrinogen oxidase 0.003 0.1175 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.003 0.1175 1
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0884 1
Trypanosoma cruzi cysteine peptidase, putative 0.0023 0.0726 0.6181
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.1175 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0726 0.0718
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.0726 0.0726
Onchocerca volvulus 0.0023 0.0726 0.0528
Loa Loa (eye worm) hypothetical protein 0.0015 0.0231 0.0201
Schistosoma mansoni flap endonuclease-1 0.0023 0.0725 0.0725
Brugia malayi Flap endonuclease-1 0.0025 0.0884 0.0919
Entamoeba histolytica cysteine protease, putative 0.0023 0.0726 0.8219
Schistosoma mansoni hypothetical protein 0.0164 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0231 0.0201
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0884 0.0882
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0884 0.3508
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.003 0.1175 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Loa Loa (eye worm) hypothetical protein 0.0146 0.8808 0.9154
Echinococcus granulosus cathepsin l1 0.0015 0.0231 0.0231
Onchocerca volvulus 0.0023 0.0726 0.0528
Plasmodium vivax hypothetical protein, conserved 0.003 0.1175 1
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0884 0.0884
Schistosoma mansoni amine oxidase 0.003 0.1175 0.1175
Onchocerca volvulus Cathepsin L homolog 0.0023 0.0726 0.0528
Echinococcus multilocularis cathepsin L cysteine protease 0.0023 0.0726 0.0726
Loa Loa (eye worm) cysteine protease 0.0023 0.0726 0.0718
Mycobacterium tuberculosis Possible oxidoreductase 0.003 0.1175 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.003 0.1175 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Onchocerca volvulus 0.0159 0.9619 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.003 0.1175 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0146 0.8808 0.8808
Echinococcus multilocularis protoporphyrinogen oxidase 0.003 0.1175 0.1175
Chlamydia trachomatis protoporphyrinogen oxidase 0.003 0.1175 0.5
Entamoeba histolytica SWIRM domain protein 0.0012 0.0039 0.0438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Onchocerca volvulus 0.0023 0.0726 0.0528
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Onchocerca volvulus 0.0023 0.0726 0.0528
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0231 0.2615
Plasmodium falciparum cysteine proteinase falcipain 3 0.0023 0.0726 0.6181
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Plasmodium vivax hypothetical protein, conserved 0.003 0.1175 1
Brugia malayi hypothetical protein 0.0147 0.8834 0.9184
Onchocerca volvulus Cathepsin F homolog 0.0023 0.0726 0.0528
Brugia malayi SWIRM domain containing protein 0.0012 0.0039 0.004
Loa Loa (eye worm) hypothetical protein 0.003 0.1175 0.1186
Mycobacterium ulcerans monoamine oxidase 0.003 0.1175 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.003 0.1175 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.0726 0.8219
Loa Loa (eye worm) hypothetical protein 0.0147 0.8834 0.9181
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0015 0.0231 0.1967
Onchocerca volvulus Cathepsin L homolog 0.0023 0.0726 0.0528
Brugia malayi SWIRM domain containing protein 0.0159 0.9619 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0023 0.0726 0.8219
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0023 0.0726 0.0718
Loa Loa (eye worm) hypothetical protein 0.0159 0.9619 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0023 0.0726 0.6181
Plasmodium falciparum flap endonuclease 1 0.0025 0.0884 0.7521
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0023 0.0726 0.6181
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0884 1
Echinococcus granulosus flap endonuclease 1 0.0025 0.0884 0.0884
Trypanosoma cruzi cruzipain precursor, putative 0.0023 0.0726 0.6181
Echinococcus granulosus cathepsin l1 0.0023 0.0726 0.0726
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Onchocerca volvulus 0.0023 0.0726 0.0528
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0884 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0231 0.0201
Echinococcus multilocularis cysteine protease 0.0023 0.0726 0.0726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.003 0.1175 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0039 0.0438
Schistosoma mansoni hypothetical protein 0.0164 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0023 0.0726 0.0726
Loa Loa (eye worm) ctsf protein 0.0023 0.0726 0.0718
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0884 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Loa Loa (eye worm) hypothetical protein 0.003 0.1175 0.1186
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0012 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0231 0.0231
Echinococcus granulosus cathepsin l cysteine peptidase 0.0023 0.0726 0.0726
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Brugia malayi Cathepsin L-like precursor 0.0015 0.0231 0.024
Echinococcus granulosus cathepsin L cysteine proteinase 0.0023 0.0726 0.0726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0023 0.0726 0.0726
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Toxoplasma gondii histone lysine-specific demethylase 0.003 0.1175 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.1985 0.2064
Entamoeba histolytica cysteine proteinase, putative 0.0015 0.0231 0.2615
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.0726 0.8219
Loa Loa (eye worm) hypothetical protein 0.0146 0.8808 0.9154
Onchocerca volvulus 0.0023 0.0726 0.0528
Brugia malayi cathepsin L-like precursor 0.0015 0.0231 0.024
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Mycobacterium ulcerans dehydrogenase 0.003 0.1175 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.003 0.1175 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0023 0.0726 0.8219
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.0726 0.0726
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0231 0.2615
Brugia malayi Cathepsin L-like precursor 0.0023 0.0726 0.0755
Schistosoma mansoni SWI/SNF complex-related 0.0012 0.0039 0.0039
Echinococcus multilocularis 0.003 0.1175 0.1175
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0146 0.8808 0.8808
Mycobacterium ulcerans oxidoreductase 0.003 0.1175 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0023 0.0726 0.8219
Entamoeba histolytica SWIRM domain protein 0.0012 0.0039 0.0438
Loa Loa (eye worm) fibroinase 0.0023 0.0726 0.0718
Brugia malayi Cathepsin L-like precursor 0.0015 0.0231 0.024
Echinococcus granulosus lysine specific histone demethylase 1A 0.003 0.1175 0.1175
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.003 0.1175 0.1175
Entamoeba histolytica hypothetical protein 0.0012 0.0039 0.0438
Leishmania major UDP-galactopyranose mutase 0.003 0.1175 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.003 0.1175 1
Brugia malayi Papain family cysteine protease containing protein 0.0023 0.0726 0.0755
Echinococcus multilocularis cathepsin L cysteine protease 0.0023 0.0726 0.0726
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.003 0.1175 0.5
Onchocerca volvulus 0.0147 0.8834 0.9164
Trypanosoma cruzi cysteine peptidase, putative 0.0023 0.0726 0.6181

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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