Detailed information for compound 680904

Basic information

Technical information
  • TDR Targets ID: 680904
  • Name: (E)-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)pip erazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
  • MW: 385.503 | Formula: C19H19N3O2S2
  • H donors: 0 H acceptors: 2 LogP: 3.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)sc(n2)N1CCN(CC1)C(=O)C=Cc1cccs1
  • InChi: 1S/C19H19N3O2S2/c1-24-14-4-6-16-17(13-14)26-19(20-16)22-10-8-21(9-11-22)18(23)7-5-15-3-2-12-25-15/h2-7,12-13H,8-11H2,1H3/b7-5+
  • InChiKey: WSBFHRLGRADJGL-FNORWQNLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one
  • (E)-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(2-thienyl)prop-2-en-1-one
  • (E)-1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one
  • ZINC04583423

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 0.0028 1 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0546 0.0546
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.752 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0546 0.0546
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.6617 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0.752 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.752 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.6071 0.6071
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.752 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.752 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.752 0.7377
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.752 0.7377
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.6617 0.6421
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.752 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.752 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0546 0.0546
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.752 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.752 1
Loa Loa (eye worm) hypothetical protein 0.0028 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.752 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.752 0.752
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.6617 0.8705
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.752 0.7377
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.752 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.6617 0.6421
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.752 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0546 0.0546
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.6617 0.8705
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 1 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0546 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0546 0.0546
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0021 0.6617 0.6421
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.6071 0.6071
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.6071 0.6071
Loa Loa (eye worm) hypothetical protein 0.0021 0.6617 0.6421
Mycobacterium ulcerans hypothetical protein 0.0028 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.6617 0.6421
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0546 0.0546
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0546 0.0546
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.752 0.7377
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.6617 0.6617
Onchocerca volvulus 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.6617 0.6421
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 1 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0028 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.752 0.7377
Schistosoma mansoni ap endonuclease 0.0023 0.752 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.752 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.6071 0.6071
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.752 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 1 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0546 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 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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