Detailed information for compound 621518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.519 | Formula: C22H18N2O4S2
  • H donors: 0 H acceptors: 3 LogP: 4.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)Oc1ccccc1)N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C
  • InChi: 1S/C22H18N2O4S2/c1-24-19-12-11-18(30(2,26)27)14-20(19)29-22(24)23-21(25)15-7-6-10-17(13-15)28-16-8-4-3-5-9-16/h3-14H,1-2H3/b23-22-
  • InChiKey: RKCYZICAVSSWKZ-FCQUAONHSA-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
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0601 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0018 0.0018
Echinococcus granulosus lamin dm0 0.0082 0.0706 0.0706
Schistosoma mansoni hypothetical protein 0.0033 0.0018 0.0058
Loa Loa (eye worm) hypothetical protein 0.0108 0.1077 0.34
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0601 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0108 0.1077 0.34
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.098 0.3095
Schistosoma mansoni hypothetical protein 0.0069 0.0526 0.1663
Loa Loa (eye worm) hypothetical protein 0.0074 0.0599 0.1891
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0601 0.19
Brugia malayi RNA binding protein 0.0256 0.3166 1
Brugia malayi hypothetical protein 0.0048 0.0226 0.0713
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0601 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0526 0.1663
Schistosoma mansoni tar DNA-binding protein 0.0256 0.3166 1
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0601 0.5
Schistosoma mansoni lamin 0.0082 0.0706 0.223
Schistosoma mansoni hypothetical protein 0.0077 0.0635 0.2005
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0601 1
Onchocerca volvulus 0.0108 0.1077 1
Schistosoma mansoni tar DNA-binding protein 0.0256 0.3166 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.098 0.3095
Brugia malayi RNA recognition motif domain containing protein 0.0256 0.3166 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.098 0.3095
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0601 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.0635 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0085 0.0268
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0635 0.2005
Schistosoma mansoni tar DNA-binding protein 0.0256 0.3166 1
Loa Loa (eye worm) beta-lactamase 0.0074 0.0601 0.19
Schistosoma mansoni lamin 0.0082 0.0706 0.223
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0635 0.0635
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.3056 0.9654
Loa Loa (eye worm) hypothetical protein 0.008 0.0685 0.2163
Mycobacterium ulcerans hypothetical protein 0.0074 0.0601 0.5
Echinococcus multilocularis musashi 0.0082 0.0706 0.0706
Brugia malayi TAR-binding protein 0.0256 0.3166 1
Schistosoma mansoni intermediate filament proteins 0.0082 0.0706 0.223
Loa Loa (eye worm) intermediate filament protein 0.0082 0.0706 0.223
Leishmania major hypothetical protein, conserved 0.0074 0.0601 1
Mycobacterium ulcerans lipase LipD 0.0074 0.0601 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.0106 0.0106
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.098 0.3095
Brugia malayi beta-lactamase family protein 0.0074 0.0601 0.19
Trichomonas vaginalis esterase, putative 0.0074 0.0601 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0601 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.0106 0.0106
Brugia malayi Intermediate filament tail domain containing protein 0.0082 0.0706 0.223
Brugia malayi beta-lactamase family protein 0.0074 0.0601 0.19
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Loa Loa (eye worm) hypothetical protein 0.004 0.0106 0.0335
Loa Loa (eye worm) TAR-binding protein 0.0256 0.3166 1
Echinococcus multilocularis tumor protein p63 0.0738 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Mycobacterium ulcerans beta-lactamase 0.0074 0.0601 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0599 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0601 0.19
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0601 0.5
Echinococcus multilocularis tar DNA binding protein 0.0256 0.3166 0.3166
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0635 0.0635
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0599 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0085 0.0268
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0601 1
Entamoeba histolytica hypothetical protein 0.0077 0.0635 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.0635 0.5
Brugia malayi MH2 domain containing protein 0.0248 0.3056 0.9654
Loa Loa (eye worm) RNA binding protein 0.0256 0.3166 1
Echinococcus granulosus intermediate filament protein 0.0082 0.0706 0.0706
Brugia malayi hypothetical protein 0.0074 0.0599 0.1891
Loa Loa (eye worm) hypothetical protein 0.0082 0.0706 0.223
Echinococcus granulosus lamin 0.0082 0.0706 0.0706
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0256 0.3166 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0601 0.0601
Brugia malayi intermediate filament protein 0.0082 0.0706 0.223
Schistosoma mansoni tar DNA-binding protein 0.0256 0.3166 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0476 0.6286 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0601 0.5
Onchocerca volvulus 0.0082 0.0706 0.2202
Entamoeba histolytica hypothetical protein 0.0077 0.0635 0.5
Echinococcus multilocularis lamin dm0 0.0082 0.0706 0.0706
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0044 0.0168 0.0529
Mycobacterium leprae Probable lipase LipE 0.0074 0.0601 0.5
Toxoplasma gondii ABC1 family protein 0.0074 0.0601 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Loa Loa (eye worm) hypothetical protein 0.0069 0.0526 0.1663
Onchocerca volvulus 0.0082 0.0706 0.2202
Schistosoma mansoni tar DNA-binding protein 0.0256 0.3166 1
Brugia malayi hypothetical protein 0.0077 0.0635 0.2005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0601 0.19
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0601 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0601 0.5
Brugia malayi beta-lactamase 0.0074 0.0601 0.19
Brugia malayi cytoplasmic intermediate filament protein 0.0044 0.0168 0.0529
Echinococcus multilocularis lamin 0.0082 0.0706 0.0706
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0601 0.0601
Echinococcus granulosus tar DNA binding protein 0.0256 0.3166 0.3166
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Loa Loa (eye worm) hypothetical protein 0.0074 0.0601 0.19
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0082 0.0706 0.223
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.3056 0.9654
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0601 0.19

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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