Detailed information for compound 816781

Basic information

Technical information
  • TDR Targets ID: 816781
  • Name: ZINC02951141
  • MW: 402.532 | Formula: C23H18N2OS2
  • H donors: 0 H acceptors: 1 LogP: 5.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCc1c3cccc1
  • InChi: 1S/C23H18N2OS2/c1-2-14-27-23-24-21-19(22(26)25(23)16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)20(18)28-21/h2-11H,1,12-14H2
  • InChiKey: WQXHMDXPWIVBRS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_470266
  • BIM-0015826.P001
  • CBMicro_015804

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) papain family cysteine protease containing protein 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.033 1 1
Onchocerca volvulus Cathepsin L homolog 0.033 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.033 1 1
Onchocerca volvulus 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Onchocerca volvulus 0.033 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Echinococcus granulosus cathepsin b 0.0196 0.1255 0.1255
Brugia malayi Cathepsin L-like precursor 0.0219 0.2708 0.2708
Schistosoma mansoni cathepsin F (C01 family) 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Onchocerca volvulus Cathepsin L homolog 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.2708 0.1662
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Onchocerca volvulus 0.033 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.0219 0.2708 0.2708
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.033 1 1
Echinococcus granulosus cathepsin b 0.0196 0.1255 0.1255
Entamoeba histolytica cysteine proteinase, putative 0.0219 0.2708 0.2708
Leishmania major cathepsin L-like protease 0.033 1 0.5
Onchocerca volvulus 0.033 1 1
Onchocerca volvulus Cathepsin F homolog 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Onchocerca volvulus 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0219 0.2708 0.2708
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0219 0.2708 0.2708
Plasmodium vivax vivapain-2 0.033 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.2708 0.1662
Echinococcus multilocularis cathepsin L cysteine protease 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.033 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0219 0.2708 0.2708
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Echinococcus multilocularis cysteine protease 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Onchocerca volvulus 0.033 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0196 0.1255 0.1255
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0219 0.2708 0.2708
Echinococcus multilocularis cysteine protease 0.033 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0196 0.1255 0.1255
Plasmodium falciparum cysteine proteinase falcipain 3 0.033 1 1
Echinococcus granulosus cathepsin l1 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.033 1 1
Loa Loa (eye worm) ctsf protein 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Brugia malayi Papain family cysteine protease containing protein 0.033 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.033 1 1
Echinococcus multilocularis cathepsin b 0.0196 0.1255 0.1255
Onchocerca volvulus 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.033 1 1
Toxoplasma gondii cathepsin CPL 0.033 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.033 1 1
Echinococcus granulosus cathepsin l1 0.0219 0.2708 0.2708
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Entamoeba histolytica cysteine proteinase, putative 0.033 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0196 0.1255 0.1255
Echinococcus multilocularis cathepsin l cysteine peptidase 0.033 1 1
Brugia malayi cathepsin L-like precursor 0.0219 0.2708 0.2708
Leishmania major cathepsin L-like protease 0.033 1 0.5
Leishmania major cysteine peptidase A (CPA) 0.033 1 0.5
Loa Loa (eye worm) fibroinase 0.033 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0196 0.1255 0.1255
Brugia malayi Cathepsin L-like cysteine proteinase 0.0219 0.2708 0.2708
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.2708 0.1662
Entamoeba histolytica cysteine protease, putative 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Plasmodium vivax vivapain-2 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Echinococcus multilocularis cathepsin b 0.0196 0.1255 0.1255
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.033 1 1
Entamoeba histolytica cysteine proteinase, putative 0.033 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0196 0.1255 0.1255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.033 1 1
Loa Loa (eye worm) cysteine protease 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.033 1 1
Brugia malayi Cathepsin L-like precursor 0.033 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.033 1 1
Leishmania major cathepsin L-like protease 0.033 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.033 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0196 0.1255 0.1255

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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