Detailed information for compound 896697

Basic information

Technical information
  • TDR Targets ID: 896697
  • Name: butyl 6-[(3,4-dichlorophenyl)sulfamoyl]-2-oxo -1,3-benzoxazole-3-carboxylate
  • MW: 459.3 | Formula: C18H16Cl2N2O6S
  • H donors: 1 H acceptors: 4 LogP: 4.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOC(=O)n1c(=O)oc2c1ccc(c2)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C18H16Cl2N2O6S/c1-2-3-8-27-17(23)22-15-7-5-12(10-16(15)28-18(22)24)29(25,26)21-11-4-6-13(19)14(20)9-11/h4-7,9-10,21H,2-3,8H2,1H3
  • InChiKey: XHLRSUNRVGQYSK-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-[(3,4-dichlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazole-3-carboxylic acid butyl ester
  • 6-[(3,4-dichlorophenyl)sulfamoyl]-2-keto-1,3-benzoxazole-3-carboxylic acid butyl ester
  • ZINC03158340

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
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.7511 0.7367
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0546 0.0546
Leishmania major DNA polymerase kappa, putative 0.0019 0.7511 0.7367
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.7233 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0546 0.0546
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.7511 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.6071 0.6071
Loa Loa (eye worm) hypothetical protein 0.0019 0.7511 0.7367
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.7233 0.9601
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.7511 0.7511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7511 1
Leishmania major DNA polymerase eta, putative 0.0019 0.7511 0.7367
Mycobacterium ulcerans hypothetical protein 0.0023 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.6071 0.6071
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.413 0.5145
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.6617 0.9078
Trypanosoma brucei unspecified product 0.0019 0.7511 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.7233 0.7073
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.7511 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.413 0.5145
Giardia lamblia DINP protein human, muc B family 0.0019 0.7511 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.7511 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.6617 0.9078
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7511 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.7233 0.7073
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7511 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.7233 0.9601
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.6617 0.6421
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7511 1
Echinococcus granulosus dna polymerase eta 0.0019 0.7511 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0546 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.7233 0.7073
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.7511 0.7367
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.7511 0.7511
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.7233 0.9601
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.7511 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.413 0.5145
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.7511 0.7367
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.7233 0.5
Echinococcus granulosus dna polymerase kappa 0.0019 0.7511 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.7511 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.6617 0.6421
Trypanosoma brucei unspecified product 0.0013 0.413 0.5145
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.7233 0.9601
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.7233 0.7233
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.7511 1
Onchocerca volvulus 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.7233 0.9601
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.7511 0.7367
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0546 0.0546
Schistosoma mansoni ap endonuclease 0.0019 0.7233 0.9601
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.7233 0.7073
Trypanosoma brucei unspecified product 0.0013 0.413 0.5145
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.7511 0.7367
Toxoplasma gondii exonuclease III APE 0.0019 0.7233 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.6071 0.6071
Loa Loa (eye worm) hypothetical protein 0.0018 0.6617 0.6421
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0546 0.0546
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.7511 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.6617 0.6421
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.7233 0.7073
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0546 0.0546
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.7511 1
Brugia malayi AMP-binding enzyme family protein 0.0023 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.7511 0.7367
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0546 0.0546
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.7233 0.9601
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.7511 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.6617 0.5
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0546 0.0546
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.6617 0.6421
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.7233 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 1 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0546 0.0546
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.7511 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.7233 0.9601
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.7511 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.7511 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.7511 0.7367
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0546 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.6071 0.6071
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.7233 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.6617 0.6617
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.6617 0.6421
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.7233 0.9601
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.7511 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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