Detailed information for compound 1512532

Basic information

Technical information
  • TDR Targets ID: 1512532
  • Name: N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-y lacetamide
  • MW: 270.33 | Formula: C14H12N3OS+
  • H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc2c(s1)cccc2)C[n+]1ccccc1
  • InChi: 1S/C14H11N3OS/c18-13(10-17-8-4-1-5-9-17)16-14-15-11-6-2-3-7-12(11)19-14/h1-9H,10H2/p+1
  • InChiKey: VLGMJRFLQJGUAA-UHFFFAOYSA-O  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-acetamide
  • N-(1,3-benzothiazol-2-yl)-2-(1-pyridin-1-iumyl)acetamide
  • N-(1,3-benzothiazol-2-yl)-2-pyridin-1-ium-1-yl-ethanamide
  • AG-690/15427952
  • ZINC02948081

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
Brugia malayi Muscleblind-like protein 0.0165 0.9929 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0002 0.0002
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1191 0.12
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus granulosus muscleblind protein 0.0165 0.9929 0.9929
Echinococcus multilocularis muscleblind protein 0.0165 0.9929 0.9929
Brugia malayi isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.538 0.538
Echinococcus multilocularis protein dispatched 1 0.0047 0.2111 0.2111
Echinococcus multilocularis protein patched 0.0041 0.1723 0.1723
Leishmania major hypothetical protein, conserved 0.0025 0.0614 1
Brugia malayi hypothetical protein 0.0025 0.0614 0.0618
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2218 0.2233
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.1723 0.1723
Brugia malayi hypothetical protein 0.012 0.6946 0.6995
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.6742 0.679
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0002 0.0002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.2328 0.2345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2328 0.2328
Loa Loa (eye worm) hypothetical protein 0.0051 0.2341 0.2358
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.6742 0.679
Echinococcus granulosus Protein patched homolog 1 0.0041 0.1723 0.1723
Loa Loa (eye worm) hypothetical protein 0.012 0.6946 0.6995
Schistosoma mansoni hypothetical protein 0.0033 0.1191 0.1191
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0197 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0197 0.3197
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0614 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.538 0.5419
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0614 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.538 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2328 0.2328
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0002 0.0002
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.538 0.538
Schistosoma mansoni hypothetical protein 0.004 0.1624 0.1624
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.8129 0.8129
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.1723 0.1735
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0197 0.3197
Loa Loa (eye worm) hypothetical protein 0.0165 0.9929 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0614 1
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0002 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2328 0.2328
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.2328 0.2345
Echinococcus granulosus expressed conserved protein 0.0091 0.4992 0.4992
Toxoplasma gondii exonuclease III APE 0.0018 0.0197 0.3197
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0197 0.0197
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2328 0.2328
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0197 0.0199
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0049 0.2218 0.2233
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.8129 0.8129
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0197 0.3197
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0197 1
Schistosoma mansoni ap endonuclease 0.0018 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0025 0.0614 0.0618
Loa Loa (eye worm) hypothetical protein 0.0165 0.9929 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.538 0.5419
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.1723 0.1723
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.5479 0.5479
Schistosoma mansoni ap endonuclease 0.0018 0.0197 0.0197
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0197 0.5
Schistosoma mansoni hypothetical protein 0.004 0.1624 0.1624
Onchocerca volvulus Huntingtin homolog 0.012 0.6946 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0614 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0614 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0197 0.3197
Schistosoma mansoni patched 1 0.0041 0.1723 0.1723
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2218 0.2233
Onchocerca volvulus Huntingtin homolog 0.012 0.6946 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0197 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2328 0.2328
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0614 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1191 0.12
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1723 1
Echinococcus multilocularis expressed conserved protein 0.0091 0.4992 0.4992
Loa Loa (eye worm) hypothetical protein 0.012 0.6946 0.6995
Brugia malayi hypothetical protein 0.0016 0.0032 0.0033
Schistosoma mansoni hypothetical protein 0.004 0.1624 0.1624
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2328 0.2328
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0197 0.3197
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0197 0.3197
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus multilocularis muscleblind protein 1 0.0165 0.9929 0.9929
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1723 0.1735
Brugia malayi CHE-14 protein 0.0041 0.1723 0.1735
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2328 0.2328
Brugia malayi MH2 domain containing protein 0.0117 0.6742 0.679
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0197 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2218 0.2233
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0614 1
Schistosoma mansoni hypothetical protein 0.004 0.1624 0.1624

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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