Detailed information for compound 143537

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 193.229 | Formula: C7H7N5S
  • H donors: 1 H acceptors: 0 LogP: 2.49 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=Nc1ccc(cc1)/N=C(\S)/N
  • InChi: 1S/C7H7N5S/c8-7(13)10-5-1-3-6(4-2-5)11-12-9/h1-4H,(H3,8,10,13)
  • InChiKey: QGIOLTSTTRLMBB-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
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.1433 0.1433
Plasmodium vivax vivapain-3 0.0143 0.1583 0.3247
Plasmodium vivax vivapain-2 0.0265 0.4877 1
Trypanosoma cruzi cysteine proteinase, putative 0.0143 0.1583 0.1583
Trypanosoma cruzi cruzipain precursor, putative 0.0405 0.8643 0.8643
Loa Loa (eye worm) hypothetical protein 0.0182 0.2631 0.2631
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.4877 1
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Trypanosoma brucei cysteine peptidase C (CPC) 0.0182 0.2635 0.149
Onchocerca volvulus 0.0265 0.4877 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0769 0.0769
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0265 0.4877 0.3913
Brugia malayi RNA binding protein 0.0213 0.3474 0.3474
Echinococcus granulosus cathepsin l1 0.0265 0.4877 0.3913
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Loa Loa (eye worm) hypothetical protein 0.0265 0.4877 0.4877
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Loa Loa (eye worm) hypothetical protein 0.0456 1 1
Plasmodium vivax unspecified product 0.0143 0.1583 0.3247
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0456 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0182 0.2635 0.2635
Schistosoma mansoni tar DNA-binding protein 0.0213 0.3474 0.3474
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Leishmania major cysteine peptidase A (CPA) 0.0265 0.4877 0.3731
Brugia malayi Papain family cysteine protease containing protein 0.0143 0.1583 0.1583
Brugia malayi cathepsin L-like precursor 0.0182 0.2631 0.2631
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Trypanosoma cruzi cysteine proteinase, putative 0.0143 0.1583 0.1583
Trypanosoma cruzi cysteine peptidase, putative 0.0405 0.8643 0.8643
Echinococcus multilocularis tar DNA binding protein 0.0213 0.3474 0.2246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.2631 0.3182
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0456 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0456 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0143 0.1583 0.1583
Trypanosoma cruzi cysteine peptidase, putative 0.0265 0.4877 0.4877
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Trypanosoma cruzi cysteine peptidase, putative 0.0405 0.8643 0.8643
Loa Loa (eye worm) hypothetical protein 0.0182 0.2631 0.2631
Echinococcus multilocularis cathepsin L cysteine protease 0.0265 0.4877 0.3913
Schistosoma mansoni tar DNA-binding protein 0.0213 0.3474 0.3474
Echinococcus granulosus cathepsin l cysteine peptidase 0.0265 0.4877 0.3913
Giardia lamblia Cathepsin B precursor 0.0182 0.2635 0.5
Brugia malayi Cathepsin L-like cysteine proteinase 0.0182 0.2631 0.2631
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Plasmodium vivax vivapain-2 0.0265 0.4877 1
Echinococcus multilocularis cysteine protease 0.0265 0.4877 0.3913
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0265 0.4877 0.3913
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Brugia malayi RNA recognition motif domain containing protein 0.0213 0.3474 0.3474
Loa Loa (eye worm) ctsf protein 0.0265 0.4877 0.4877
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0265 0.4877 1
Giardia lamblia Cathepsin B precursor 0.0182 0.2635 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0182 0.2635 0.3194
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Giardia lamblia Cathepsin B precursor 0.0182 0.2635 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Brugia malayi Papain family cysteine protease containing protein 0.0265 0.4877 0.4877
Brugia malayi Cathepsin L-like precursor 0.0182 0.2631 0.2631
Leishmania major cathepsin L-like protease 0.0265 0.4877 0.3731
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0265 0.4877 0.4877
Onchocerca volvulus Cathepsin L homolog 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Entamoeba histolytica cysteine protease, putative 0.0265 0.4877 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0265 0.4877 1
Leishmania major cathepsin L-like protease 0.0265 0.4877 0.3731
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0769 0.0769
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0265 0.4877 0.4877
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Onchocerca volvulus Cathepsin F homolog 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Brugia malayi TAR-binding protein 0.0213 0.3474 0.3474
Onchocerca volvulus 0.0265 0.4877 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0143 0.1583 0.1583
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Loa Loa (eye worm) RNA binding protein 0.0213 0.3474 0.3474
Entamoeba histolytica cysteine proteinase, putative 0.0265 0.4877 1
Schistosoma mansoni cathepsin F (C01 family) 0.0182 0.2631 0.2631
Trypanosoma cruzi cysteine peptidase, putative 0.0405 0.8643 0.8643
Echinococcus multilocularis cysteine protease 0.0265 0.4877 0.3913
Leishmania major cathepsin L-like protease 0.0265 0.4877 0.3731
Loa Loa (eye worm) fibroinase 0.0265 0.4877 0.4877
Echinococcus granulosus cathepsin b 0.0456 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0322 0.6397 0.6397
Trypanosoma cruzi cysteine protease, putative 0.0143 0.1583 0.1583
Leishmania major cathepsin L-like protease 0.0265 0.4877 0.3731
Brugia malayi Papain family cysteine protease containing protein 0.0143 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0182 0.2631 0.2631
Onchocerca volvulus 0.0265 0.4877 1
Echinococcus granulosus cathepsin b 0.0456 1 1
Echinococcus granulosus tar DNA binding protein 0.0213 0.3474 0.2246
Leishmania major cathepsin L-like protease 0.0405 0.8643 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Onchocerca volvulus 0.0265 0.4877 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0143 0.1583 0.1583
Onchocerca volvulus 0.0265 0.4877 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0769 0.0769
Schistosoma mansoni cathepsin F (C01 family) 0.0265 0.4877 0.4877
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0456 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0265 0.4877 1
Brugia malayi Cathepsin L-like precursor 0.0182 0.2631 0.2631
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0456 1 1
Echinococcus multilocularis cathepsin b 0.0456 1 1
Onchocerca volvulus Cathepsin L homolog 0.0265 0.4877 1
Echinococcus granulosus cathepsin l1 0.0182 0.2631 0.1245
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Brugia malayi MH2 domain containing protein 0.0137 0.1433 0.1433
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Trypanosoma cruzi cysteine peptidase, putative 0.0143 0.1583 0.1583
Entamoeba histolytica cysteine proteinase, putative 0.0182 0.2631 0.3182
Leishmania major cathepsin L-like protease 0.0405 0.8643 1
Schistosoma mansoni tar DNA-binding protein 0.0213 0.3474 0.3474
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0769 0.0769
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Schistosoma mansoni tar DNA-binding protein 0.0213 0.3474 0.3474
Echinococcus granulosus cathepsin L cysteine proteinase 0.0265 0.4877 0.3913
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Onchocerca volvulus 0.0265 0.4877 1
Schistosoma mansoni cathepsin F (C01 family) 0.0265 0.4877 0.4877
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Brugia malayi Cathepsin L-like precursor 0.0265 0.4877 0.4877
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0265 0.4877 0.3913
Leishmania major cathepsin L-like protease 0.0265 0.4877 0.3731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0265 0.4877 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0143 0.1583 0.1583
Plasmodium vivax vivapain-1 0.0143 0.1583 0.3247
Echinococcus multilocularis cathepsin b 0.0456 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Toxoplasma gondii cathepsin CPL 0.0265 0.4877 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Leishmania major cathepsin L-like protease 0.0405 0.8643 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0265 0.4877 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.1433 0.1433
Trypanosoma cruzi major cysteine proteinase, putative 0.0199 0.3104 0.3104
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0405 0.8643 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0182 0.2635 0.2635
Loa Loa (eye worm) cathepsin B 0.0182 0.2635 0.2635
Loa Loa (eye worm) TAR-binding protein 0.0213 0.3474 0.3474
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0182 0.2631 0.3182
Loa Loa (eye worm) cysteine protease 0.0265 0.4877 0.4877
Onchocerca volvulus 0.0265 0.4877 1
Schistosoma mansoni tar DNA-binding protein 0.0213 0.3474 0.3474
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0213 0.3474 0.3474
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0265 0.4877 1

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) = 0.0005 M Concentration of the compound in urinary bladder of female frog. ChEMBL. No reference
Inhibition (functional) = 25 % Compound was tested for its ability to inhibit the urea facilitated transport in the urinary bladder of female frog, activity expressed as percent inhibition. ChEMBL. No reference
Irreversibility (functional) = 100 % Compound was tested for its ability to inhibit the urea facilitated transport in the urinary bladder of female frog after illumination, activity expressed as irreversibility of illumination. 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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