Detailed information for compound 628163

Basic information

Technical information
  • TDR Targets ID: 628163
  • Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-1- benzothiophene-2-carboxamide
  • MW: 389.836 | Formula: C16H8ClN3O3S2
  • H donors: 1 H acceptors: 4 LogP: 5.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])Nc1sc2c(n1)c(Cl)ccc2
  • InChi: 1S/C16H8ClN3O3S2/c17-10-2-1-3-12-14(10)18-16(25-12)19-15(21)13-7-8-6-9(20(22)23)4-5-11(8)24-13/h1-7H,(H,18,19,21)
  • InChiKey: CJVZZMQSVKVLEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide
  • N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-2-benzothiophenecarboxamide
  • ZINC04079241
  • Oprea1_227806

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) mucolipin 1 0.0065 0.1136 0.2387
Toxoplasma gondii ABC1 family protein 0.0073 0.1313 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1313 0.505
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2537 0.5331
Brugia malayi Coelomocyte uptake defective protein 5 0.0065 0.1136 0.2334
Entamoeba histolytica hypothetical protein 0.0035 0.0481 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0964 0.7207
Echinococcus granulosus lamin 0.0028 0.032 0.1263
Loa Loa (eye worm) hypothetical protein 0.0106 0.2034 0.4274
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0064 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2537 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1313 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Loa Loa (eye worm) hypothetical protein 0.0028 0.0309 0.065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1718 0.6773
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1718 0.6689
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2537 0.5298
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1084 0.8168
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0788 0.5797
Loa Loa (eye worm) cysteine protease 0.0016 0.0064 0.0135
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1313 0.2708
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0064 0.0253
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Entamoeba histolytica hypothetical protein 0.0035 0.0481 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2537 1
Brugia malayi follicle stimulating hormone receptor 0.0229 0.476 1
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1313 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0781 0.3078
Trichomonas vaginalis esterase, putative 0.0073 0.1313 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1313 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2537 1
Schistosoma mansoni hypothetical protein 0.0106 0.2034 0.7966
Schistosoma mansoni hypothetical protein 0.0035 0.0481 0.1686
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0781 0.3078
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1313 0.505
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1313 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1084 0.8168
Onchocerca volvulus 0.0073 0.1313 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0064 0.0253
Loa Loa (eye worm) ctsf protein 0.0016 0.0064 0.0135
Mycobacterium ulcerans beta-lactamase 0.0073 0.1313 0.5
Echinococcus granulosus GPCR family 2 0.0049 0.0781 0.3078
Echinococcus multilocularis lamin 0.0028 0.032 0.1263
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0781 0.3078
Brugia malayi beta-lactamase family protein 0.0073 0.1313 0.2708
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0481 0.1896
Schistosoma mansoni lamin 0.0028 0.032 0.1037
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0481 0.1686
Leishmania major cathepsin L-like protease 0.0063 0.1084 0.8168
Loa Loa (eye worm) hypothetical protein 0.0016 0.0064 0.0135
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0064 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1718 0.6773
Brugia malayi intermediate filament protein 0.0028 0.032 0.0608
Loa Loa (eye worm) RNA binding protein 0.0128 0.2537 0.5331
Schistosoma mansoni hypothetical protein 0.0049 0.0781 0.2899
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0781 0.1583
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.3114 0.6543
Loa Loa (eye worm) beta-lactamase 0.0073 0.1313 0.2759
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2537 0.5331
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1313 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1084 0.8168
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0781 0.1641
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0781 0.3078
Brugia malayi beta-lactamase family protein 0.0073 0.1313 0.2708
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1313 0.2759
Echinococcus multilocularis GPCR, family 2 0.0049 0.0781 0.3078
Onchocerca volvulus 0.0073 0.1313 1
Schistosoma mansoni hypothetical protein 0.0049 0.0781 0.2899
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0481 0.1896
Echinococcus granulosus cathepsin l1 0.0016 0.0064 0.0253
Loa Loa (eye worm) hypothetical protein 0.0155 0.3114 0.6543
Brugia malayi beta-lactamase 0.0073 0.1313 0.2708
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1313 1
Onchocerca volvulus 0.0073 0.1313 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2537 1
Schistosoma mansoni mucolipin 0.006 0.1016 0.3849
Mycobacterium leprae conserved hypothetical protein 0.0073 0.1313 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.1084 0.8168
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1313 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0064 0.0253
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0064 0.0066
Echinococcus multilocularis cysteine protease 0.0016 0.0064 0.0253
Schistosoma mansoni intermediate filament proteins 0.0028 0.032 0.1037
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0064 0.0253
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1718 0.3566
Onchocerca volvulus 0.0028 0.032 0.2053
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.1313 0.5
Brugia malayi TAR-binding protein 0.0128 0.2537 0.5298
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.1313 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0064 0.0253
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2537 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.3114 0.6519
Leishmania major cathepsin L-like protease 0.0063 0.1084 0.8168
Echinococcus multilocularis cysteine protease 0.0016 0.0064 0.0253
Mycobacterium ulcerans lipase LipD 0.0073 0.1313 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0781 0.2899
Onchocerca volvulus 0.0028 0.032 0.2053
Schistosoma mansoni hypothetical protein 0.0049 0.0781 0.2899
Echinococcus granulosus tar DNA binding protein 0.0128 0.2537 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0033 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1313 1
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1313 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0064 0.0135
Schistosoma mansoni mucolipin 0.0065 0.1136 0.4334
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.3114 0.6519
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0781 0.1583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1718 0.6689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1718 0.6773
Brugia malayi RNA binding protein 0.0128 0.2537 0.5298
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1718 0.6773
Leishmania major cathepsin L-like protease 0.0063 0.1084 0.8168
Entamoeba histolytica hypothetical protein 0.0035 0.0481 1
Echinococcus granulosus intermediate filament protein 0.0028 0.032 0.1263
Schistosoma mansoni lamin 0.0028 0.032 0.1037
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.476 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1313 0.2759
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2537 1
Echinococcus granulosus lamin dm0 0.0028 0.032 0.1263
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0064 0.5
Mycobacterium ulcerans hypothetical protein 0.0073 0.1313 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0481 1
Echinococcus multilocularis musashi 0.0028 0.032 0.1263
Loa Loa (eye worm) fibroinase 0.0016 0.0064 0.0135
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1313 0.5175
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0064 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1718 0.3611
Loa Loa (eye worm) intermediate filament protein 0.0028 0.032 0.0673
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.032 0.0673
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.2034 0.4234
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Brugia malayi Cathepsin L-like precursor 0.0016 0.0064 0.0066
Echinococcus granulosus mucolipin 3 0.0065 0.1136 0.4478
Mycobacterium leprae Probable lipase LipE 0.0073 0.1313 0.5
Leishmania major hypothetical protein, conserved 0.0073 0.1313 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.032 0.0673
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0064 0.0253
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.032 0.0608
Echinococcus multilocularis lamin dm0 0.0028 0.032 0.1263
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1313 0.5175
Loa Loa (eye worm) hypothetical protein 0.0049 0.0781 0.1641
Echinococcus multilocularis mucolipin 3 0.0065 0.1136 0.4478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1718 0.6689
Brugia malayi hypothetical protein 0.0035 0.0481 0.0948

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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