Detailed information for compound 419055

Basic information

Technical information
  • TDR Targets ID: 419055
  • Name: 3-amino-2-sulfanylidene-1,3-thiazolidin-4-one
  • MW: 148.207 | Formula: C3H4N2OS2
  • H donors: 1 H acceptors: 1 LogP: 0.11 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CSC(=S)N1N
  • InChi: 1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2
  • InChiKey: ZBUUHLDYMKTVLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-2-thioxo-thiazolidin-4-one
  • 3-amino-2-thioxo-4-thiazolidinone
  • 3-azanyl-2-sulfanylidene-1,3-thiazolidin-4-one
  • 3-aminorhodanine
  • 1438-16-0
  • AI3-52566
  • EINECS 215-870-9
  • NSC 23272
  • ZINC01083111
  • 4-Thiazolidinone, 3-amino-2-thioxo-
  • N-Aminorhodanine
  • NSC23272
  • Rhodanine, 3-amino-
  • A79507_ALDRICH
  • SBB000101
  • Rhodanine-Related Derivatives 20
  • Oprea1_165452
  • AIDS-097804
  • AIDS097804
  • Aminorhodanine

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 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.2924 0.2198
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.2924 0.2924
Entamoeba histolytica cysteine proteinase, putative 0.0161 0.2924 1
Onchocerca volvulus 0.0161 0.2924 1
Toxoplasma gondii cathepsin CPL 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Giardia lamblia Cathepsin B precursor 0.0131 0.1716 0.5
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0161 0.2924 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0131 0.1716 0.5868
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Brugia malayi cathepsin L-like precursor 0.0111 0.093 0.093
Echinococcus multilocularis cathepsin L cysteine protease 0.0161 0.2924 0.2924
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0161 0.2924 1
Loa Loa (eye worm) ctsf protein 0.0161 0.2924 0.2198
Leishmania major cysteine peptidase A (CPA) 0.0161 0.2924 1
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.2924 0.2924
Schistosoma mansoni cathepsin F (C01 family) 0.0161 0.2924 0.2924
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0131 0.1716 0.1716
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.034 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Echinococcus multilocularis cathepsin L cysteine protease 0.0161 0.2924 0.2924
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.034 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Schistosoma mansoni cathepsin F (C01 family) 0.0161 0.2924 0.2924
Echinococcus multilocularis cysteine protease 0.0161 0.2924 0.2924
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0161 0.2924 1
Onchocerca volvulus 0.0161 0.2924 1
Loa Loa (eye worm) hypothetical protein 0.034 1 1
Loa Loa (eye worm) cathepsin B 0.0131 0.1716 0.0866
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Onchocerca volvulus 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.2924 0.2924
Schistosoma mansoni cathepsin F (C01 family) 0.0111 0.093 0.093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0161 0.2924 1
Trypanosoma cruzi cruzipain precursor, putative 0.0161 0.2924 0.2924
Onchocerca volvulus Cathepsin L homolog 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Giardia lamblia Cathepsin B precursor 0.0131 0.1716 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0131 0.1716 0.1716
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.2924 0.2924
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Onchocerca volvulus 0.0161 0.2924 1
Brugia malayi Cathepsin L-like precursor 0.0111 0.093 0.093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Trypanosoma cruzi cysteine peptidase, putative 0.0161 0.2924 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Echinococcus multilocularis cathepsin b 0.034 1 1
Echinococcus granulosus cathepsin b 0.034 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0161 0.2924 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0161 0.2924 0.2198
Loa Loa (eye worm) hypothetical protein 0.0161 0.2924 0.2198
Echinococcus granulosus cathepsin l1 0.0111 0.093 0.093
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Echinococcus granulosus cathepsin L cysteine proteinase 0.0161 0.2924 0.2924
Entamoeba histolytica cysteine proteinase, putative 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0131 0.1716 0.5868
Loa Loa (eye worm) cysteine protease 0.0161 0.2924 0.2198
Giardia lamblia Cathepsin B precursor 0.0131 0.1716 0.5
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Loa Loa (eye worm) fibroinase 0.0161 0.2924 0.2198
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.093 0.3182
Echinococcus multilocularis cysteine protease 0.0161 0.2924 0.2924
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Echinococcus multilocularis cathepsin b 0.034 1 1
Brugia malayi Cathepsin L-like precursor 0.0161 0.2924 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.093 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Echinococcus granulosus cathepsin b 0.034 1 1
Plasmodium vivax vivapain-2 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1
Onchocerca volvulus Cathepsin L homolog 0.0161 0.2924 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0161 0.2924 0.2924
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.093 0.3182
Brugia malayi Cathepsin L-like precursor 0.0111 0.093 0.093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Leishmania major cathepsin L-like protease 0.0161 0.2924 1
Onchocerca volvulus Cathepsin F homolog 0.0161 0.2924 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0161 0.2924 0.2924
Onchocerca volvulus 0.0161 0.2924 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0111 0.093 0.093
Echinococcus granulosus cathepsin l1 0.0161 0.2924 0.2924
Onchocerca volvulus 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Entamoeba histolytica cysteine protease, putative 0.0161 0.2924 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.034 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0161 0.2924 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0161 0.2924 1
Plasmodium vivax vivapain-2 0.0161 0.2924 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.034 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0161 0.2924 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0111 0.093 0.093
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.034 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0161 0.2924 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 uM Inhibition of rabbit GSK3 ChEMBL. 16279768
IC50 (binding) = 100 uM Inhibition of rabbit GSK3 ChEMBL. 16279768
LD50 (ADMET) = 5.07 mg kg-1 Toxicity in ip dosed Mus musculus ddY (mouse) assessed as mortality after 1 to 7 days ChEMBL. No reference
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 after 7 days by agar dilution method ChEMBL. 9648238
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 4 days ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 0 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 3 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 4 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 20 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 4 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 4 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 4 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 6 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 60 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 5 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 4 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 80 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 7 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 3 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 7 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 2 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 5 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 6 days ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 1 day ChEMBL. No reference
mortality (ADMET) = 100 % Toxicity in Mus musculus ddY (mouse) assessed as mortality at 8 mg/kg, ip after 4 days 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

Bibliographic References

2 literature references were collected for this gene.

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