Detailed information for compound 874122

Basic information

Technical information
  • TDR Targets ID: 874122
  • Name: 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N- (3-dimethylaminopropyl)thiophene-2-carboxamid e
  • MW: 458.823 | Formula: C17H17BrClN3OS2
  • H donors: 0 H acceptors: 2 LogP: 5.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN(C(=O)c1ccc(s1)Br)c1sc2c(n1)ccc(c2)Cl)C
  • InChi: 1S/C17H17BrClN3OS2/c1-21(2)8-3-9-22(16(23)13-6-7-15(18)24-13)17-20-12-5-4-11(19)10-14(12)25-17/h4-7,10H,3,8-9H2,1-2H3
  • InChiKey: XWBRDCCKIJACAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-dimethylaminopropyl)-2-thiophenecarboxamide

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
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0058 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.5177 0.4147
Schistosoma mansoni tar DNA-binding protein 0.0057 0.9616 0.9534
Loa Loa (eye worm) RNA binding protein 0.0057 0.9616 0.9616
Brugia malayi RNA binding protein 0.0057 0.9616 0.9616
Loa Loa (eye worm) FAD binding domain-containing protein 0.0058 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.7824 0.7824
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0058 1 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0058 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0058 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0052 0.8141 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.3338 0.3338
Schistosoma mansoni tar DNA-binding protein 0.0057 0.9616 0.9534
Schistosoma mansoni hypothetical protein 0.0035 0.3338 0.1914
Brugia malayi FAD binding domain containing protein 0.0036 0.3744 0.3744
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0057 0.9616 0.9616
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0058 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.5177 0.5177
Plasmodium vivax flavodoxin domain containing protein 0.0052 0.8141 0.8141
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0058 1 1
Loa Loa (eye worm) TAR-binding protein 0.0057 0.9616 0.9616
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.5177 0.2291
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.7824 0.7824
Trypanosoma cruzi p450 reductase, putative 0.0058 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.3338 0.3338
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0058 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0058 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0029 0.176 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.5177 0.2291
Brugia malayi RNA recognition motif domain containing protein 0.0057 0.9616 0.9616
Giardia lamblia Hypothetical protein 0.0052 0.8141 0.5
Echinococcus multilocularis tar DNA binding protein 0.0057 0.9616 0.9386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.5177 0.4147
Brugia malayi TAR-binding protein 0.0057 0.9616 0.9616
Loa Loa (eye worm) FAD binding domain-containing protein 0.0036 0.3744 0.3744
Schistosoma mansoni NADPH flavin oxidoreductase 0.0029 0.1885 0.0151
Toxoplasma gondii flavodoxin domain-containing protein 0.0029 0.176 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0058 1 1
Schistosoma mansoni tar DNA-binding protein 0.0057 0.9616 0.9534
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0058 1 1
Chlamydia trachomatis sulfite reductase 0.0036 0.3744 0.5
Schistosoma mansoni tar DNA-binding protein 0.0057 0.9616 0.9534
Leishmania major p450 reductase, putative 0.0058 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.7824 0.7824
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.5177 0.2291
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0058 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0058 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.7824 0.7824
Schistosoma mansoni tar DNA-binding protein 0.0057 0.9616 0.9534
Echinococcus granulosus tar DNA binding protein 0.0057 0.9616 0.9386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.5177 0.4147
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0058 1 1
Leishmania major cytochrome P450 reductase, putative 0.0052 0.8141 0.8141
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0058 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0036 0.3744 0.2407
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.5177 0.5177
Schistosoma mansoni cytochrome P450 reductase 0.0058 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.5177 0.2291
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0058 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0058 1 1
Brugia malayi FAD binding domain containing protein 0.0058 1 1

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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