Detailed information for compound 1052361

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.371 | Formula: C13H17N5O2S
  • H donors: 3 H acceptors: 4 LogP: 0.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1nc(cc(n1)N)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C13H17N5O2S/c1-9-2-4-10(5-3-9)21(19,20)18-13-8-11(15)16-12(17-13)6-7-14/h2-5,8H,6-7,14H2,1H3,(H3,15,16,17,18)
  • InChiKey: QIADICGGGDPDLG-UHFFFAOYSA-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
Brugia malayi Papain family cysteine protease containing protein 0.0233 0.6219 0.6982
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0185 0.4333 0.4333
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0157 0.3231 0.3544
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0122 0.1837 0.1837
Loa Loa (eye worm) hypothetical protein 0.0157 0.3231 0.3628
Onchocerca volvulus 0.0233 0.6219 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0233 0.6219 0.6982
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0157 0.3231 0.5196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Onchocerca volvulus 0.0233 0.6219 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0185 0.4333 0.6967
Plasmodium vivax vivapain-1 0.0122 0.1837 0.2954
Leishmania major cysteine peptidase A (CPA) 0.0233 0.6219 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0233 0.6219 1
Onchocerca volvulus 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Onchocerca volvulus 0.0233 0.6219 1
Entamoeba histolytica cysteine protease, putative 0.0233 0.6219 1
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Schistosoma mansoni cathepsin F (C01 family) 0.0157 0.3231 0.3231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Brugia malayi Cathepsin L-like precursor 0.0157 0.3231 0.3628
Brugia malayi Cathepsin L-like cysteine proteinase 0.0157 0.3231 0.3628
Trypanosoma cruzi cysteine peptidase, putative 0.0233 0.6219 1
Toxoplasma gondii cathepsin CPL 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0185 0.4333 0.4333
Trypanosoma cruzi cysteine peptidase, putative 0.0233 0.6219 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0233 0.6219 0.6818
Entamoeba histolytica cysteine proteinase, putative 0.0233 0.6219 1
Echinococcus multilocularis cathepsin L 0.0122 0.1837 0.1632
Loa Loa (eye worm) fibroinase 0.0233 0.6219 0.6982
Onchocerca volvulus 0.0233 0.6219 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Brugia malayi Cathepsin L-like precursor 0.0157 0.3231 0.3628
Schistosoma mansoni cathepsin F (C01 family) 0.0233 0.6219 0.6219
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0459 0.0459
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0122 0.1837 0.1704
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trypanosoma cruzi cysteine protease, putative 0.0122 0.1837 0.2954
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0301 0.8907 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0122 0.1837 0.2277
Trypanosoma cruzi cysteine proteinase, putative 0.0122 0.1837 0.2954
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0301 0.8907 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0089 0.0545 0.0877
Echinococcus multilocularis cathepsin b 0.0185 0.4333 0.4585
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Entamoeba histolytica cysteine proteinase, putative 0.0157 0.3231 0.3182
Echinococcus multilocularis cathepsin L cysteine protease 0.0233 0.6219 0.6818
Echinococcus granulosus cathepsin L cysteine protease 0.0122 0.1837 0.1632
Brugia malayi Papain family cysteine protease containing protein 0.0122 0.1837 0.2063
Onchocerca volvulus Cathepsin L homolog 0.0233 0.6219 1
Entamoeba histolytica cysteine proteinase, putative 0.0233 0.6219 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Brugia malayi cathepsin L-like precursor 0.0157 0.3231 0.3628
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0301 0.8907 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0233 0.6219 0.6818
Schistosoma mansoni voltage-gated potassium channel 0.0328 1 1
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Trypanosoma cruzi cysteine peptidase, putative 0.0122 0.1837 0.2954
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Giardia lamblia Cathepsin B precursor 0.0089 0.0545 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0122 0.1837 0.2277
Echinococcus multilocularis cysteine protease 0.0233 0.6219 0.6818
Echinococcus multilocularis cysteine protease 0.0233 0.6219 0.6818
Loa Loa (eye worm) hypothetical protein 0.0185 0.4333 0.4864
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.6219 0.6982
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0233 0.6219 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0233 0.6219 0.6818
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Echinococcus granulosus cathepsin b 0.0185 0.4333 0.4585
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0087 0.0459 0.0515
Onchocerca volvulus 0.0233 0.6219 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0233 0.6219 0.6818
Loa Loa (eye worm) hypothetical protein 0.0157 0.3231 0.3628
Brugia malayi Papain family cysteine protease containing protein 0.0122 0.1837 0.2063
Plasmodium falciparum cysteine proteinase falcipain 3 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0089 0.0545 0.0545
Onchocerca volvulus Cathepsin F homolog 0.0233 0.6219 1
Echinococcus granulosus cysteine protease 0.0122 0.1837 0.1632
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0233 0.6219 0.7486
Onchocerca volvulus 0.0233 0.6219 1
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0459 0.0459
Echinococcus granulosus cathepsin b 0.0185 0.4333 0.4585
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Plasmodium vivax vivapain-3 0.0122 0.1837 0.2954
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Echinococcus granulosus cathepsin l1 0.0157 0.3231 0.3282
Trypanosoma cruzi cruzipain precursor, putative 0.0233 0.6219 1
Plasmodium vivax unspecified product 0.0122 0.1837 0.2954
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Brugia malayi cathepsin B-like cysteine proteinase 0.0185 0.4333 0.4864
Trypanosoma cruzi cysteine proteinase, putative 0.0122 0.1837 0.2954
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0157 0.3231 0.3544
Loa Loa (eye worm) ctsf protein 0.0233 0.6219 0.6982
Loa Loa (eye worm) cathepsin B 0.0089 0.0545 0.0612
Schistosoma mansoni cathepsin F (C01 family) 0.0233 0.6219 0.6219
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Plasmodium vivax vivapain-2 0.0233 0.6219 1
Giardia lamblia Cathepsin B precursor 0.0089 0.0545 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0185 0.4333 0.4333
Trypanosoma cruzi cysteine peptidase, putative 0.0233 0.6219 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0281 0.8125 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0122 0.1837 0.1837
Onchocerca volvulus Cathepsin L homolog 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0185 0.4333 0.4333
Brugia malayi Cathepsin L-like precursor 0.0233 0.6219 0.6982
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0122 0.1837 0.2954
Echinococcus multilocularis cathepsin b 0.0185 0.4333 0.4585
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0233 0.6219 0.7486
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0233 0.6219 0.6818
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Trypanosoma cruzi cysteine peptidase, putative 0.0233 0.6219 1
Loa Loa (eye worm) hypothetical protein 0.0261 0.7336 0.8236
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0122 0.1837 0.1837
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0233 0.6219 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0301 0.8907 1
Plasmodium vivax vivapain-2 0.0233 0.6219 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0233 0.6219 0.7486
Loa Loa (eye worm) cysteine protease 0.0233 0.6219 0.6982
Loa Loa (eye worm) hypothetical protein 0.0087 0.0459 0.0515
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0233 0.6219 0.7486
Echinococcus granulosus cathepsin l1 0.0233 0.6219 0.6818
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0122 0.1837 0.1704
Leishmania major cathepsin L-like protease 0.0233 0.6219 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.3231 0.3628
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0281 0.8125 1
Giardia lamblia Cathepsin B precursor 0.0089 0.0545 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0233 0.6219 0.6982
Echinococcus granulosus cathepsin L 0.0122 0.1837 0.1632

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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