Detailed information for compound 667740

Basic information

Technical information
  • TDR Targets ID: 667740
  • Name: ZINC01134562
  • MW: 391.11 | Formula: C14H10BrCl2NOS
  • H donors: 1 H acceptors: 1 LogP: 5.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)ccc1Cl)CSc1ccc(cc1)Br
  • InChi: 1S/C14H10BrCl2NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8H2,(H,18,19)
  • InChiKey: VWBKOCZDNUJWOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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) hypothetical protein 0.0303 0.3906 0.3906
Schistosoma mansoni hypothetical protein 0.0358 0.4737 0.4737
Toxoplasma gondii methionyl-tRNA synthetase 0.0111 0.0991 0.4576
Loa Loa (eye worm) hypothetical protein 0.0379 0.5055 0.5055
Echinococcus granulosus geminin 0.0358 0.4737 0.4737
Schistosoma mansoni endonuclease related 0.0182 0.2074 0.2074
Mycobacterium ulcerans methionyl-tRNA synthetase 0.006 0.0231 0.0398
Trypanosoma cruzi endonuclease G, putative 0.0182 0.2074 1
Echinococcus granulosus ectonucleotide 0.0256 0.3184 0.3184
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0303 0.3906 0.3906
Giardia lamblia Methionyl-tRNA synthetase 0.006 0.0231 0.0398
Brugia malayi glycyl-tRNA synthetase 0.0059 0.0204 0.0165
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.014 0.0101
Plasmodium vivax methionine--tRNA ligase, putative 0.006 0.0231 1
Loa Loa (eye worm) hypothetical protein 0.0303 0.3906 0.3906
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0367 0.4859 0.4859
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0048 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0073 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0048 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0048 0.0039 0.0039
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0182 0.2074 1
Echinococcus granulosus glycyl tRNA synthetase 0.0059 0.0204 0.0204
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0182 0.2074 1
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.006 0.0231 0.077
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0048 0.0039 0.0039
Toxoplasma gondii tRNA ligases class I (M) protein 0.006 0.0231 0.077
Echinococcus multilocularis Endonuclease G 0.0182 0.2074 0.2074
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Loa Loa (eye worm) hypothetical protein 0.006 0.0231 0.0231
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0303 0.3906 0.3906
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Loa Loa (eye worm) hypothetical protein 0.0073 0.0423 0.0423
Onchocerca volvulus 0.0367 0.4859 0.5248
Trypanosoma brucei endonuclease G, putative 0.0182 0.2074 1
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0059 0.0204 0.0204
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0367 0.4859 0.8345
Echinococcus multilocularis geminin 0.0358 0.4737 0.4737
Echinococcus multilocularis leucyl tRNA synthetase 0.006 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0134 0.1339 0.1339
Plasmodium vivax hypothetical protein, conserved 0.006 0.0231 1
Echinococcus granulosus methionine tRNA synthetase 0.006 0.0231 0.0231
Brugia malayi Protein-tyrosine phosphatase 0.0118 0.1106 0.1071
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.006 0.0231 0.05
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0256 0.3184 0.3184
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0113 0.1025 0.4848
Echinococcus granulosus transferase 0.0048 0.0039 0.0039
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0367 0.4859 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0048 0.0039 0.0039
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Loa Loa (eye worm) hypothetical protein 0.0048 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0073 0.0423 0.0423
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0254 0.315 1
Schistosoma mansoni glycyl-tRNA synthetase 0.0059 0.0204 0.0204
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1025 0.475
Giardia lamblia Methionyl-tRNA synthetase 0.005 0.0077 0.0079
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.005 0.0077 0.0077
Schistosoma mansoni hypothetical protein 0.0048 0.0039 0.0039
Plasmodium falciparum methionine--tRNA ligase 0.006 0.0231 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0367 0.4859 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0707 1 1
Leishmania major hypothetical protein, conserved 0.005 0.0077 0.0188
Echinococcus multilocularis tyrosyl tRNA synthetase 0.005 0.0077 0.0077
Brugia malayi Thrombospondin type 1 domain containing protein 0.0655 0.9222 0.9219
Onchocerca volvulus 0.0303 0.3906 0.4211
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0367 0.4859 1
Plasmodium falciparum methionine--tRNA ligase, putative 0.006 0.0231 1
Schistosoma mansoni methionyl-tRNA synthetase 0.005 0.0077 0.0077
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Echinococcus multilocularis glycyl tRNA synthetase 0.0059 0.0204 0.0204
Leishmania major methionyl-tRNA synthetase, putative 0.006 0.0231 0.0943
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0367 0.4859 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.006 0.0231 1
Entamoeba histolytica hypothetical protein 0.005 0.0077 0.0066
Loa Loa (eye worm) hypothetical protein 0.0048 0.0039 0.0039
Chlamydia trachomatis methionine--tRNA ligase 0.0379 0.5055 1
Chlamydia trachomatis leucine--tRNA ligase 0.006 0.0231 0.0309
Loa Loa (eye worm) hypothetical protein 0.0134 0.1339 0.1339
Schistosoma mansoni tyrosyl-tRNA synthetase 0.005 0.0077 0.0077
Leishmania major hypothetical protein, conserved 0.0113 0.1025 0.4848
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0707 1 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0367 0.4859 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0707 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Loa Loa (eye worm) hypothetical protein 0.0303 0.3906 0.3906
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.043 0.5814 1
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.005 0.0077 0.0188
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.005 0.0077 0.0077
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0113 0.1025 0.1983
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0113 0.1025 0.1983
Onchocerca volvulus 0.0303 0.3906 0.4211
Plasmodium vivax methionine--tRNA ligase, putative 0.006 0.0231 1
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0048 0.0039 0.0039
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0256 0.3184 0.3184
Trypanosoma brucei endonuclease G, putative 0.0182 0.2074 1
Leishmania major leucyl-tRNA synthetase, putative 0.006 0.0231 0.0943
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1025 0.475
Treponema pallidum methionyl-tRNA synthetase 0.043 0.5814 1
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0059 0.0204 0.0204
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0367 0.4859 0.8345
Schistosoma mansoni methionine-tRNA synthetase 0.006 0.0231 0.0231
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0303 0.3906 0.3906
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0048 0.0039 0.0039
Schistosoma mansoni leucyl-tRNA synthetase 0.006 0.0231 0.0231
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Schistosoma mansoni hypothetical protein 0.0048 0.0039 0.0039
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0367 0.4859 0.4838
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0379 0.5055 0.5055
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0059 0.0204 0.0165
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0182 0.2074 1
Entamoeba histolytica hypothetical protein 0.005 0.0077 0.0066
Brugia malayi endonuclease G, mitochondrial precursor 0.0182 0.2074 0.2043
Giardia lamblia Leucyl-tRNA synthetase 0.006 0.0231 0.0398
Plasmodium falciparum tRNA import protein tRIP 0.005 0.0077 0.199
Brugia malayi methionyl-tRNA synthetase 0.006 0.0231 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0138 0.0127
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0379 0.5055 0.5055
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.006 0.0231 0.0943
Onchocerca volvulus Huntingtin homolog 0.0134 0.1339 0.1416
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.014 0.014
Leishmania major endonuclease G, putative 0.0182 0.2074 1
Schistosoma mansoni hypothetical protein 0.0048 0.0039 0.0039
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Loa Loa (eye worm) methionyl-tRNA synthetase 0.006 0.0231 0.0231
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0048 0.0039 0.0039
Echinococcus multilocularis transferase 0.0048 0.0039 0.0039
Onchocerca volvulus 0.0078 0.0494 0.0496
Schistosoma mansoni methionine-tRNA synthetase 0.0379 0.5055 0.5055
Loa Loa (eye worm) hypothetical protein 0.0114 0.1035 0.1035
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0367 0.4859 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0367 0.4859 1
Echinococcus granulosus tyrosyl tRNA synthetase 0.005 0.0077 0.0077
Echinococcus multilocularis methionine tRNA synthetase 0.006 0.0231 0.0231
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Schistosoma mansoni hypothetical protein 0.0655 0.9222 0.9222
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.006 0.0231 1
Onchocerca volvulus Huntingtin homolog 0.0134 0.1339 0.1416
Trypanosoma cruzi endonuclease G, putative 0.0182 0.2074 1
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.005 0.0077 0.0188
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.006 0.0231 0.0322
Loa Loa (eye worm) hypothetical protein 0.006 0.0231 0.0231
Echinococcus granulosus Endonuclease G 0.0182 0.2074 0.2074
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0369 0.4901 0.4901
Leishmania major hypothetical protein 0.005 0.0077 0.0188
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0303 0.3906 0.3906
Brugia malayi hypothetical protein 0.0134 0.1339 0.1305
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0182 0.2074 1
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0303 0.3906 0.3882
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0303 0.3906 0.3906
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0048 0.0039 0.0039
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0707 1 1
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.006 0.0231 1
Onchocerca volvulus 0.0655 0.9222 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.014 0.0101
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0048 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0048 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0256 0.3184 0.3184
Brugia malayi methionyl-tRNA synthetase 0.043 0.5814 0.5798
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0048 0.0039 0.0039
Mycobacterium ulcerans leucyl-tRNA synthetase 0.006 0.0231 0.0398
Brugia malayi protein ZK524.3 0.006 0.0231 0.0193
Trypanosoma brucei endonuclease G, putative 0.0182 0.2074 1
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.005 0.0077 0.0188
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0367 0.4859 1
Schistosoma mansoni hypothetical protein 0.0358 0.4737 0.4737
Loa Loa (eye worm) hypothetical protein 0.0054 0.014 0.014
Echinococcus multilocularis ectonucleotide 0.0256 0.3184 0.3184
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.005 0.0077 0.0079
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0655 0.9222 0.9222

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.