Detailed information for compound 621676

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.451 | Formula: C17H16N2O3S2
  • H donors: 0 H acceptors: 3 LogP: 2.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C)Cc1ccccc1
  • InChi: 1S/C17H16N2O3S2/c1-19-14-9-8-13(24(2,21)22)11-15(14)23-17(19)18-16(20)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b18-17-
  • InChiKey: UHUDDUCAOCWNAC-ZCXUNETKSA-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
Schistosoma mansoni tar DNA-binding protein 0.0257 0.343 1
Brugia malayi beta-lactamase family protein 0.0038 0.02 0.0584
Loa Loa (eye worm) hypothetical protein 0.0109 0.1244 0.3626
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0135 0.0108
Echinococcus granulosus lamin 0.0054 0.0441 0.0415
Brugia malayi RNA binding protein 0.0257 0.343 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0741 0.2161
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0257 0.343 1
Leishmania major hypothetical protein, conserved 0.0038 0.02 0.27
Mycobacterium ulcerans beta-lactamase 0.0038 0.02 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.02 0.0623
Mycobacterium leprae conserved hypothetical protein 0.0038 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0737 0.2148
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.02 0.0173
Brugia malayi hypothetical protein 0.0048 0.0352 0.1025
Trypanosoma brucei PAB1-binding protein , putative 0.0074 0.0741 1
Trichomonas vaginalis esterase, putative 0.0038 0.02 0.5
Onchocerca volvulus 0.0038 0.02 0.173
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0441 0.1287
Onchocerca volvulus 0.0054 0.0441 0.3814
Brugia malayi hypothetical protein 0.0074 0.0741 0.2161
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.007 0.0204
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.02 0.0623
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.02 0.0199
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0741 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0148 0.0432
Echinococcus multilocularis musashi 0.0054 0.0441 0.0415
Brugia malayi beta-lactamase family protein 0.0038 0.02 0.0584
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0148 0.0121
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.02 0.0623
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.3212 1
Brugia malayi beta-lactamase 0.0038 0.02 0.0584
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.02 0.0623
Onchocerca volvulus 0.0038 0.02 0.173
Plasmodium vivax ataxin-2 like protein, putative 0.0074 0.0741 1
Brugia malayi MH2 domain containing protein 0.0242 0.3208 0.9352
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.02 0.5
Onchocerca volvulus 0.0054 0.0441 0.3814
Brugia malayi TAR-binding protein 0.0257 0.343 1
Schistosoma mansoni lamin 0.0054 0.0441 0.0931
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.02 0.0173
Echinococcus multilocularis lamin dm0 0.0054 0.0441 0.0415
Brugia malayi RNA recognition motif domain containing protein 0.0257 0.343 1
Entamoeba histolytica hypothetical protein 0.011 0.1264 1
Brugia malayi intermediate filament protein 0.0054 0.0441 0.1287
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0741 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.02 0.0623
Loa Loa (eye worm) TAR-binding protein 0.0257 0.343 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.02 0.0623
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0148 0.0121
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.02 1
Entamoeba histolytica hypothetical protein 0.011 0.1264 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.02 0.5
Echinococcus multilocularis tar DNA binding protein 0.0257 0.343 0.3412
Echinococcus granulosus intermediate filament protein 0.0054 0.0441 0.0415
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0737 0.2148
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0148 0.0121
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.1264 0.124
Entamoeba histolytica hypothetical protein 0.011 0.1264 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0427 0.1244
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Schistosoma mansoni lamin 0.0054 0.0441 0.0931
Schistosoma mansoni hypothetical protein 0.0034 0.0148 0.0041
Loa Loa (eye worm) hypothetical protein 0.0034 0.0148 0.0432
Schistosoma mansoni hypothetical protein 0.0034 0.0148 0.0041
Onchocerca volvulus 0.0103 0.1157 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.02 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.02 0.0623
Loa Loa (eye worm) beta-lactamase 0.0038 0.02 0.0584
Brugia malayi hypothetical protein 0.011 0.1264 0.3684
Echinococcus multilocularis tumor protein p63 0.0701 1 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0148 0.0432
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0135 0.0108
Schistosoma mansoni hypothetical protein 0.011 0.1264 0.3426
Toxoplasma gondii LsmAD domain-containing protein 0.0074 0.0741 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.02 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0441 0.1287
Echinococcus granulosus GPCR family 2 0.0034 0.0148 0.0121
Schistosoma mansoni hypothetical protein 0.0034 0.0148 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.02 0.5
Echinococcus multilocularis GPCR, family 2 0.0034 0.0148 0.0121
Schistosoma mansoni hypothetical protein 0.0074 0.0737 0.1827
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1244 0.3626
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.1264 0.124
Loa Loa (eye worm) hypothetical protein 0.0103 0.1157 0.3374
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.02 0.0199
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0148 0.0432
Mycobacterium leprae Probable lipase LipE 0.0038 0.02 1
Schistosoma mansoni tar DNA-binding protein 0.0257 0.343 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Schistosoma mansoni tar DNA-binding protein 0.0257 0.343 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.02 0.0584
Loa Loa (eye worm) hypothetical protein 0.0054 0.0441 0.1287
Echinococcus granulosus lamin dm0 0.0054 0.0441 0.0415
Entamoeba histolytica hypothetical protein 0.011 0.1264 1
Schistosoma mansoni transcription factor LCR-F1 0.011 0.1264 0.3426
Mycobacterium ulcerans hypothetical protein 0.0038 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.02 0.0584
Loa Loa (eye worm) RNA binding protein 0.0257 0.343 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1244 0.3626
Schistosoma mansoni intermediate filament proteins 0.0054 0.0441 0.0931
Mycobacterium tuberculosis Conserved protein 0.0038 0.02 0.0623
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.02 0.0584
Onchocerca volvulus 0.0038 0.02 0.173
Schistosoma mansoni tar DNA-binding protein 0.0257 0.343 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.02 1
Leishmania major hypothetical protein, conserved 0.0074 0.0741 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.3208 0.9352
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0441 0.1287
Loa Loa (eye worm) hypothetical protein 0.0026 0.0027 0.008
Mycobacterium tuberculosis Conserved protein 0.0038 0.02 0.0623
Echinococcus multilocularis lamin 0.0054 0.0441 0.0415
Mycobacterium ulcerans lipase LipD 0.0038 0.02 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1244 0.3626
Loa Loa (eye worm) hypothetical protein 0.0025 0.0013 0.0037
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0148 0.0121
Loa Loa (eye worm) hypothetical protein 0.0025 0.0013 0.0037
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.007 0.0204
Schistosoma mansoni cellular tumor antigen P53 0.0103 0.1157 0.3103
Schistosoma mansoni tar DNA-binding protein 0.0257 0.343 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0741 0.5
Echinococcus granulosus tar DNA binding protein 0.0257 0.343 0.3412
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0741 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.3208 0.9352
Schistosoma mansoni hypothetical protein 0.0034 0.0148 0.0041
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.02 0.0623

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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